N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine

C32H37N — CID 70901590

IUPACN-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine
SMILESCCC(C)c1ccc(N(c2ccc(C(C)(CC)CC)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C32H37N/c1-6-24(4)25-16-20-28(21-17-25)33(31-15-11-13-26-12-9-10-14-30(26)31)29-22-18-27(19-23-29)32(5,7-2)8-3/h9-24H,6-8H2,1-5H3
InChIKeyDBBXXFQTDNLAAS-UHFFFAOYSA-N
MW435.66 g/mol
LogP9.90
Rot. Bonds8

About N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine

N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine (PubChem CID 70901590) has the molecular formula C32H37N and a molecular weight of 435.66 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine
PubChem CID70901590
Molecular FormulaC32H37N
Molecular Weight435.66 g/mol
Exact Mass435.29
IUPAC NameN-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine
SMILESCCC(C)c1ccc(N(c2ccc(C(C)(CC)CC)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C32H37N/c1-6-24(4)25-16-20-28(21-17-25)33(31-15-11-13-26-12-9-10-14-30(26)31)29-22-18-27(19-23-29)32(5,7-2)8-3/h9-24H,6-8H2,1-5H3
InChIKeyDBBXXFQTDNLAAS-UHFFFAOYSA-N
XLogP9.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59747058
1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 58426696
4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
9-N-(4-butan-2-ylphenyl)-9-N,10-N,10-N-tris[4-(2-phenylpropan-2-yl)phenyl]anthracene-9,10-diamine
CID 88885785
N-[4-[4-(N-naphthalen-1-yl-4-propan-2-ylanilino)phenyl]phenyl]-N-(4-propan-2-ylphenyl)naphthalen-1-amine
CID 66791153
4-N-[4-(4,4-dimethylpentan-2-yl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 143268218
N-[4-(2-methylbutan-2-yl)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]naphthalen-1-amine
CID 118074809
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
N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 118122960
9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 154603864
1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
CID 59456240
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

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine (CID 70901590) is N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine is CCC(C)c1ccc(N(c2ccc(C(C)(CC)CC)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine?
The InChIKey is DBBXXFQTDNLAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N/c1-6-24(4)25-16-20-28(21-17-25)33(31-15-11-13-26-12-9-10-14-30(26)31)29-22-18-27(19-23-29)32(5,7-2)8-3/h9-24H,6-8H2,1-5H3.
What are the key properties of N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine?
N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine has a molecular weight of 435.66 g/mol, XLogP of 9.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-N-[4-(3-methylpentan-3-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 70901590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).