4-methoxy-N-(1-phenylheptan-3-yl)aniline

C20H27NO — CID 85304689

IUPAC4-methoxy-N-(1-phenylheptan-3-yl)aniline
SMILESCCCCC(CCc1ccccc1)Nc1ccc(OC)cc1
InChIInChI=1S/C20H27NO/c1-3-4-10-18(12-11-17-8-6-5-7-9-17)21-19-13-15-20(22-2)16-14-19/h5-9,13-16,18,21H,3-4,10-12H2,1-2H3
InChIKeyNSVKGACYCSKDSK-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.30
Rot. Bonds9

About 4-methoxy-N-(1-phenylheptan-3-yl)aniline

4-methoxy-N-(1-phenylheptan-3-yl)aniline (PubChem CID 85304689) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-methoxy-N-(1-phenylheptan-3-yl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(1-phenylheptan-3-yl)aniline
PubChem CID85304689
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-methoxy-N-(1-phenylheptan-3-yl)aniline
SMILESCCCCC(CCc1ccccc1)Nc1ccc(OC)cc1
InChIInChI=1S/C20H27NO/c1-3-4-10-18(12-11-17-8-6-5-7-9-17)21-19-13-15-20(22-2)16-14-19/h5-9,13-16,18,21H,3-4,10-12H2,1-2H3
InChIKeyNSVKGACYCSKDSK-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(2-chlorophenyl)hexan-2-yl]-4-methoxyaniline
CID 134880054
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
N-octan-4-ylaniline
CID 12779854
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
1-phenyl-N-propan-2-ylheptan-3-amine
CID 13159413
N-tridecan-6-ylaniline
CID 151143089
N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-[2-[1-(4-methoxyphenyl)-4-phenylbutan-2-yl]oxy-4-phenylbutyl]benzene
CID 130301426
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-phenylheptan-3-yl)aniline?
The IUPAC name of 4-methoxy-N-(1-phenylheptan-3-yl)aniline (CID 85304689) is 4-methoxy-N-(1-phenylheptan-3-yl)aniline.
What is the SMILES notation for 4-methoxy-N-(1-phenylheptan-3-yl)aniline?
The canonical SMILES for 4-methoxy-N-(1-phenylheptan-3-yl)aniline is CCCCC(CCc1ccccc1)Nc1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(1-phenylheptan-3-yl)aniline?
The InChIKey is NSVKGACYCSKDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-4-10-18(12-11-17-8-6-5-7-9-17)21-19-13-15-20(22-2)16-14-19/h5-9,13-16,18,21H,3-4,10-12H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-phenylheptan-3-yl)aniline?
4-methoxy-N-(1-phenylheptan-3-yl)aniline has a molecular weight of 297.44 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-phenylheptan-3-yl)aniline is sourced from PubChem (CID 85304689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).