1-(4-methoxy-2-methylphenyl)hexan-1-amine

C14H23NO — CID 43125402

IUPAC1-(4-methoxy-2-methylphenyl)hexan-1-amine
SMILESCCCCCC(N)c1ccc(OC)cc1C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-14(15)13-9-8-12(16-3)10-11(13)2/h8-10,14H,4-7,15H2,1-3H3
InChIKeyNHBCYKBLFJYTCW-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.58
Rot. Bonds6

About 1-(4-methoxy-2-methylphenyl)hexan-1-amine

1-(4-methoxy-2-methylphenyl)hexan-1-amine (PubChem CID 43125402) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)hexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)hexan-1-amine
PubChem CID43125402
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-methoxy-2-methylphenyl)hexan-1-amine
SMILESCCCCCC(N)c1ccc(OC)cc1C
InChIInChI=1S/C14H23NO/c1-4-5-6-7-14(15)13-9-8-12(16-3)10-11(13)2/h8-10,14H,4-7,15H2,1-3H3
InChIKeyNHBCYKBLFJYTCW-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(1-chlorooctyl)-4-methoxy-2-methylbenzene
CID 63429941
ethyl 5-amino-5-(4-methoxy-2-methylphenyl)pentanoate
CID 82367122
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)hexan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)hexan-1-amine (CID 43125402) is 1-(4-methoxy-2-methylphenyl)hexan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)hexan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)hexan-1-amine is CCCCCC(N)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)hexan-1-amine?
The InChIKey is NHBCYKBLFJYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-7-14(15)13-9-8-12(16-3)10-11(13)2/h8-10,14H,4-7,15H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)hexan-1-amine?
1-(4-methoxy-2-methylphenyl)hexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)hexan-1-amine is sourced from PubChem (CID 43125402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).