1-hexoxy-1-(4-methoxyphenyl)propan-2-amine

C16H27NO2 — CID 55016012

IUPAC1-hexoxy-1-(4-methoxyphenyl)propan-2-amine
SMILESCCCCCCOC(c1ccc(OC)cc1)C(C)N
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-12-19-16(13(2)17)14-8-10-15(18-3)11-9-14/h8-11,13,16H,4-7,12,17H2,1-3H3
InChIKeyGXJREYYXHSDMRY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.68
Rot. Bonds9

About 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine

1-hexoxy-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 55016012) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-hexoxy-1-(4-methoxyphenyl)propan-2-amine
PubChem CID55016012
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-hexoxy-1-(4-methoxyphenyl)propan-2-amine
SMILESCCCCCCOC(c1ccc(OC)cc1)C(C)N
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-12-19-16(13(2)17)14-8-10-15(18-3)11-9-14/h8-11,13,16H,4-7,12,17H2,1-3H3
InChIKeyGXJREYYXHSDMRY-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55015962
1-(4-bromophenyl)-1-heptoxypropan-2-amine
CID 63460089
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
1-(2-bromo-1-heptoxyethyl)-4-methoxybenzene
CID 63475121
1-(4-methoxyphenyl)-1-propoxybutan-2-amine
CID 55016107
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-(3-chlorophenyl)-1-hexoxypropan-2-amine
CID 55019805
1-methoxy-4-[2-[4-(1-octoxyethyl)phenyl]phenyl]benzene
CID 139693544
1-(1-hexoxyethyl)-4-[2-(4-methoxyphenyl)phenyl]benzene
CID 139694055
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
1-methoxy-4-tetradecoxybenzene
CID 91712423
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine (CID 55016012) is 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine is CCCCCCOC(c1ccc(OC)cc1)C(C)N.
What is the InChIKey of 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is GXJREYYXHSDMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-7-12-19-16(13(2)17)14-8-10-15(18-3)11-9-14/h8-11,13,16H,4-7,12,17H2,1-3H3.
What are the key properties of 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine?
1-hexoxy-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 55016012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).