1-(3-methoxyphenyl)-3-methylhexan-1-amine

C14H23NO — CID 62605848

IUPAC1-(3-methoxyphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-6-11(2)9-14(15)12-7-5-8-13(10-12)16-3/h5,7-8,10-11,14H,4,6,9,15H2,1-3H3
InChIKeyOEEXOQRIEDXPFJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-methylhexan-1-amine

1-(3-methoxyphenyl)-3-methylhexan-1-amine (PubChem CID 62605848) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methylhexan-1-amine
PubChem CID62605848
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-methoxyphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)c1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-6-11(2)9-14(15)12-7-5-8-13(10-12)16-3/h5,7-8,10-11,14H,4,6,9,15H2,1-3H3
InChIKeyOEEXOQRIEDXPFJ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
CID 103283486
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000916
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-bromohexan-2-yl)-3-methoxybenzene
CID 83051986
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methylhexan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-methylhexan-1-amine (CID 62605848) is 1-(3-methoxyphenyl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methylhexan-1-amine is CCCC(C)CC(N)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methylhexan-1-amine?
The InChIKey is OEEXOQRIEDXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-11(2)9-14(15)12-7-5-8-13(10-12)16-3/h5,7-8,10-11,14H,4,6,9,15H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-3-methylhexan-1-amine?
1-(3-methoxyphenyl)-3-methylhexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methylhexan-1-amine is sourced from PubChem (CID 62605848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).