4-(3-methoxyphenyl)heptan-1-amine

C14H23NO — CID 83928909

IUPAC4-(3-methoxyphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-3-6-12(8-5-10-15)13-7-4-9-14(11-13)16-2/h4,7,9,11-12H,3,5-6,8,10,15H2,1-2H3
InChIKeyGIZGKPZFXIFKRU-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds7

About 4-(3-methoxyphenyl)heptan-1-amine

4-(3-methoxyphenyl)heptan-1-amine (PubChem CID 83928909) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)heptan-1-amine
PubChem CID83928909
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(3-methoxyphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-3-6-12(8-5-10-15)13-7-4-9-14(11-13)16-2/h4,7,9,11-12H,3,5-6,8,10,15H2,1-2H3
InChIKeyGIZGKPZFXIFKRU-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

3-(1-aminoheptan-4-yl)phenol
CID 83930253
1-hept-1-yn-4-yl-3-methoxybenzene
CID 83928957
4-amino-2-(3-methoxyphenyl)butan-1-ol
CID 115020276
1-methoxy-3-[(Z)-non-6-en-4-yl]benzene
CID 83928970
4-(2-ethyl-4-methoxyphenyl)heptan-1-amine
CID 83941516
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
4-(3-ethylsulfonylphenyl)heptan-1-amine
CID 83926542
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
1-(difluoromethoxy)-3-octan-4-ylbenzene
CID 143471729
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)heptan-1-amine?
The IUPAC name of 4-(3-methoxyphenyl)heptan-1-amine (CID 83928909) is 4-(3-methoxyphenyl)heptan-1-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)heptan-1-amine?
The canonical SMILES for 4-(3-methoxyphenyl)heptan-1-amine is CCCC(CCCN)c1cccc(OC)c1.
What is the InChIKey of 4-(3-methoxyphenyl)heptan-1-amine?
The InChIKey is GIZGKPZFXIFKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-6-12(8-5-10-15)13-7-4-9-14(11-13)16-2/h4,7,9,11-12H,3,5-6,8,10,15H2,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)heptan-1-amine?
4-(3-methoxyphenyl)heptan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)heptan-1-amine is sourced from PubChem (CID 83928909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).