N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline

C32H43NO — CID 71168391

IUPACN-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline
SMILESCCCCC(C)(C)N(c1ccc(OC)cc1)c1ccc(-c2ccc(C(C)(C)CCC)cc2)cc1
InChIInChI=1S/C32H43NO/c1-8-10-24-32(5,6)33(29-19-21-30(34-7)22-20-29)28-17-13-26(14-18-28)25-11-15-27(16-12-25)31(3,4)23-9-2/h11-22H,8-10,23-24H2,1-7H3
InChIKeyNSBMDMHUJMVNSS-UHFFFAOYSA-N
MW457.70 g/mol
LogP9.55
Rot. Bonds11

About N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline

N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline (PubChem CID 71168391) has the molecular formula C32H43NO and a molecular weight of 457.70 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline
PubChem CID71168391
Molecular FormulaC32H43NO
Molecular Weight457.70 g/mol
Exact Mass457.33
IUPAC NameN-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline
SMILESCCCCC(C)(C)N(c1ccc(OC)cc1)c1ccc(-c2ccc(C(C)(C)CCC)cc2)cc1
InChIInChI=1S/C32H43NO/c1-8-10-24-32(5,6)33(29-19-21-30(34-7)22-20-29)28-17-13-26(14-18-28)25-11-15-27(16-12-25)31(3,4)23-9-2/h11-22H,8-10,23-24H2,1-7H3
InChIKeyNSBMDMHUJMVNSS-UHFFFAOYSA-N
XLogP9.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.70
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(4-methoxybenzoyl)phenoxy]phenyl]-[4-(2-methylpentan-2-yl)phenyl]methanone
CID 144556494
1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
CID 121309447
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
1-methoxy-4-[2-(4-methoxyphenyl)tridecan-2-yl]benzene
CID 171405837
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
4-[4-(4-ethenylphenoxy)phenyl]-N-[4-(2-methylpentan-2-yl)phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]aniline
CID 89295001
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826
1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
CID 134341639
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
2,4-dimethyl-N-[4-[4-(2-methylheptan-2-yl)phenyl]phenyl]-N-(3-methylnonan-3-yl)aniline
CID 71192428
2-hydroxy-3-(4-methoxyphenyl)-2,3-dimethylhexanoic acid
CID 69226482

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline?
The IUPAC name of N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline (CID 71168391) is N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline is CCCCC(C)(C)N(c1ccc(OC)cc1)c1ccc(-c2ccc(C(C)(C)CCC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline?
The InChIKey is NSBMDMHUJMVNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO/c1-8-10-24-32(5,6)33(29-19-21-30(34-7)22-20-29)28-17-13-26(14-18-28)25-11-15-27(16-12-25)31(3,4)23-9-2/h11-22H,8-10,23-24H2,1-7H3.
What are the key properties of N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline?
N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline has a molecular weight of 457.70 g/mol, XLogP of 9.55, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(2-methylhexan-2-yl)-4-[4-(2-methylpentan-2-yl)phenyl]aniline is sourced from PubChem (CID 71168391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).