N-[1-(4-methoxyphenyl)pentyl]aniline

C18H23NO — CID 102396772

IUPACN-[1-(4-methoxyphenyl)pentyl]aniline
SMILESCCCCC(Nc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO/c1-3-4-10-18(19-16-8-6-5-7-9-16)15-11-13-17(20-2)14-12-15/h5-9,11-14,18-19H,3-4,10H2,1-2H3
InChIKeyNTDKSLFANLASNW-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.04
Rot. Bonds7

About N-[1-(4-methoxyphenyl)pentyl]aniline

N-[1-(4-methoxyphenyl)pentyl]aniline (PubChem CID 102396772) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)pentyl]aniline.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)pentyl]aniline
PubChem CID102396772
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(4-methoxyphenyl)pentyl]aniline
SMILESCCCCC(Nc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO/c1-3-4-10-18(19-16-8-6-5-7-9-16)15-11-13-17(20-2)14-12-15/h5-9,11-14,18-19H,3-4,10H2,1-2H3
InChIKeyNTDKSLFANLASNW-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
4-methoxy-N-(1-phenylheptan-3-yl)aniline
CID 85304689
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
N-(4-methoxyphenyl)-N'-phenyl-1-(4-phenylphenyl)ethane-1,2-diamine
CID 150101041
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
N-octan-4-ylaniline
CID 12779854
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)pentyl]aniline?
The IUPAC name of N-[1-(4-methoxyphenyl)pentyl]aniline (CID 102396772) is N-[1-(4-methoxyphenyl)pentyl]aniline.
What is the SMILES notation for N-[1-(4-methoxyphenyl)pentyl]aniline?
The canonical SMILES for N-[1-(4-methoxyphenyl)pentyl]aniline is CCCCC(Nc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)pentyl]aniline?
The InChIKey is NTDKSLFANLASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-10-18(19-16-8-6-5-7-9-16)15-11-13-17(20-2)14-12-15/h5-9,11-14,18-19H,3-4,10H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)pentyl]aniline?
N-[1-(4-methoxyphenyl)pentyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)pentyl]aniline is sourced from PubChem (CID 102396772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).