1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine

C18H29NO2 — CID 62407334

IUPAC1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(OC)c1OC)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-4-16(14-9-6-5-7-10-14)19-13-15-11-8-12-17(20-2)18(15)21-3/h8,11-12,14,16,19H,4-7,9-10,13H2,1-3H3
InChIKeyHRZVQTYJPTVYDZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.15
Rot. Bonds7

About 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine

1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 62407334) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID62407334
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(OC)c1OC)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-4-16(14-9-6-5-7-10-14)19-13-15-11-8-12-17(20-2)18(15)21-3/h8,11-12,14,16,19H,4-7,9-10,13H2,1-3H3
InChIKeyHRZVQTYJPTVYDZ-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 104791765
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 63476982
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454
methyl 2-[(1-cyclohexylpropylamino)methyl]benzoate
CID 62406452
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
4-[(1-cyclohexylpropylamino)methyl]-2-methoxyphenol
CID 62405202
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899869

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine (CID 62407334) is 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine is CCC(NCc1cccc(OC)c1OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is HRZVQTYJPTVYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-16(14-9-6-5-7-10-14)19-13-15-11-8-12-17(20-2)18(15)21-3/h8,11-12,14,16,19H,4-7,9-10,13H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine?
1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62407334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).