5-methoxy-1-(4-methoxyphenyl)hexan-3-amine

C14H23NO2 — CID 113391349

IUPAC5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
SMILESCOc1ccc(CCC(N)CC(C)OC)cc1
InChIInChI=1S/C14H23NO2/c1-11(16-2)10-13(15)7-4-12-5-8-14(17-3)9-6-12/h5-6,8-9,11,13H,4,7,10,15H2,1-3H3
InChIKeyASWCJFHSCQVINM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds7

About 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine

5-methoxy-1-(4-methoxyphenyl)hexan-3-amine (PubChem CID 113391349) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
PubChem CID113391349
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
SMILESCOc1ccc(CCC(N)CC(C)OC)cc1
InChIInChI=1S/C14H23NO2/c1-11(16-2)10-13(15)7-4-12-5-8-14(17-3)9-6-12/h5-6,8-9,11,13H,4,7,10,15H2,1-3H3
InChIKeyASWCJFHSCQVINM-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
1-(4-methoxyphenyl)-5-methylhex-5-en-3-amine
CID 105004098
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
4-[4-(2-methoxypropoxy)phenyl]butan-2-amine
CID 113382671
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
4-(4-methoxyphenyl)-1-phenylsulfanylbutan-2-amine
CID 65444591
1-(4-methoxyphenyl)-6-methylsulfonylhexan-3-amine
CID 115820668
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine?
The IUPAC name of 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine (CID 113391349) is 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine.
What is the SMILES notation for 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine?
The canonical SMILES for 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine is COc1ccc(CCC(N)CC(C)OC)cc1.
What is the InChIKey of 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine?
The InChIKey is ASWCJFHSCQVINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(16-2)10-13(15)7-4-12-5-8-14(17-3)9-6-12/h5-6,8-9,11,13H,4,7,10,15H2,1-3H3.
What are the key properties of 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine?
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxyphenyl)hexan-3-amine is sourced from PubChem (CID 113391349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).