6-(4-methoxyphenyl)heptan-3-amine

C14H23NO — CID 83932078

IUPAC6-(4-methoxyphenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-4-13(15)8-5-11(2)12-6-9-14(16-3)10-7-12/h6-7,9-11,13H,4-5,8,15H2,1-3H3
InChIKeyNDHHUSWIKZHIAN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds6

About 6-(4-methoxyphenyl)heptan-3-amine

6-(4-methoxyphenyl)heptan-3-amine (PubChem CID 83932078) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)heptan-3-amine
PubChem CID83932078
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-(4-methoxyphenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-4-13(15)8-5-11(2)12-6-9-14(16-3)10-7-12/h6-7,9-11,13H,4-5,8,15H2,1-3H3
InChIKeyNDHHUSWIKZHIAN-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4-methoxyphenyl)heptan-3-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

6-(4-ethylphenyl)heptan-3-amine
CID 83922585
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
2-amino-N-[3-(4-methoxyphenyl)butyl]-3-methylpentanamide
CID 119799848
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
methane;4-[6-(4-methoxyphenyl)octan-2-yl]phenol
CID 160819739
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140
1-(2-methoxy-4-propan-2-ylphenyl)pentan-3-amine
CID 112513250

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)heptan-3-amine?
The IUPAC name of 6-(4-methoxyphenyl)heptan-3-amine (CID 83932078) is 6-(4-methoxyphenyl)heptan-3-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)heptan-3-amine?
The canonical SMILES for 6-(4-methoxyphenyl)heptan-3-amine is CCC(N)CCC(C)c1ccc(OC)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)heptan-3-amine?
The InChIKey is NDHHUSWIKZHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-13(15)8-5-11(2)12-6-9-14(16-3)10-7-12/h6-7,9-11,13H,4-5,8,15H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)heptan-3-amine?
6-(4-methoxyphenyl)heptan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)heptan-3-amine is sourced from PubChem (CID 83932078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).