N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine

C33H39N — CID 118074809

IUPACN-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine
SMILESCCCC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C33H39N/c1-7-24-33(5,6)27-18-22-29(23-19-27)34(28-20-16-26(17-21-28)32(3,4)8-2)31-15-11-13-25-12-9-10-14-30(25)31/h9-23H,7-8,24H2,1-6H3
InChIKeyNUCOTHNDRBOYJR-UHFFFAOYSA-N
MW449.68 g/mol
LogP10.07
Rot. Bonds8

About N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine

N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine (PubChem CID 118074809) has the molecular formula C33H39N and a molecular weight of 449.68 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine
PubChem CID118074809
Molecular FormulaC33H39N
Molecular Weight449.68 g/mol
Exact Mass449.31
IUPAC NameN-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine
SMILESCCCC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C33H39N/c1-7-24-33(5,6)27-18-22-29(23-19-27)34(28-20-16-26(17-21-28)32(3,4)8-2)31-15-11-13-25-12-9-10-14-30(25)31/h9-23H,7-8,24H2,1-6H3
InChIKeyNUCOTHNDRBOYJR-UHFFFAOYSA-N
XLogP10.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 118122960
N-[4-[4-[4-[N-(4-tert-butylphenyl)-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[4-[N-naphthalen-1-yl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 159251897
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
4-N-[2-(4-tert-butylphenyl)propan-2-yl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 137397880
4-N-[4-[4-(dimethylamino)-N-naphthalen-1-ylanilino]phenyl]-1-N,1-N-dimethyl-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 59806587
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine
CID 89068086
N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 89067517
9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
CID 134483225
N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine
CID 70901590

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine (CID 118074809) is N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine is CCCC(C)(C)c1ccc(N(c2ccc(C(C)(C)CC)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is NUCOTHNDRBOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N/c1-7-24-33(5,6)27-18-22-29(23-19-27)34(28-20-16-26(17-21-28)32(3,4)8-2)31-15-11-13-25-12-9-10-14-30(25)31/h9-23H,7-8,24H2,1-6H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine?
N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 449.68 g/mol, XLogP of 10.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 118074809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).