N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine

C31H35N — CID 130269208

IUPACN-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine
SMILESCCC(C)(C)c1ccc(C(C)(CC)N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C31H35N/c1-6-30(3,4)26-18-20-27(21-19-26)31(5,7-2)32(28-15-9-8-10-16-28)29-22-17-24-13-11-12-14-25(24)23-29/h8-23H,6-7H2,1-5H3
InChIKeyWBMBGSRDSCKYBC-UHFFFAOYSA-N
MW421.63 g/mol
LogP8.99
Rot. Bonds7

About N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine

N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine (PubChem CID 130269208) has the molecular formula C31H35N and a molecular weight of 421.63 g/mol. Its IUPAC name is N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine
PubChem CID130269208
Molecular FormulaC31H35N
Molecular Weight421.63 g/mol
Exact Mass421.28
IUPAC NameN-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine
SMILESCCC(C)(C)c1ccc(C(C)(CC)N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C31H35N/c1-6-30(3,4)26-18-20-27(21-19-26)31(5,7-2)32(28-15-9-8-10-16-28)29-22-17-24-13-11-12-14-25(24)23-29/h8-23H,6-7H2,1-5H3
InChIKeyWBMBGSRDSCKYBC-UHFFFAOYSA-N
XLogP8.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.63
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-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

1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline
CID 166970912
1-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 130269956
9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
CID 134483225
4-N-naphthalen-1-yl-1-N,1-N-dinaphthalen-2-yl-4-N-(2-phenylpropan-2-yl)benzene-1,4-diamine
CID 155337035
4-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71095331
N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine
CID 118074809
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
2-methyl-2-naphthalen-2-ylpropane-1-thiol
CID 116866528
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 118122960
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine (CID 130269208) is N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine is CCC(C)(C)c1ccc(C(C)(CC)N(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine?
The InChIKey is WBMBGSRDSCKYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N/c1-6-30(3,4)26-18-20-27(21-19-26)31(5,7-2)32(28-15-9-8-10-16-28)29-22-17-24-13-11-12-14-25(24)23-29/h8-23H,6-7H2,1-5H3.
What are the key properties of N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine?
N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine has a molecular weight of 421.63 g/mol, XLogP of 8.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylbutan-2-yl)phenyl]butan-2-yl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 130269208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).