1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine

C18H29NO2 — CID 107411682

IUPAC1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCC(NCC1CCC(C)C1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H29NO2/c1-5-16(19-12-14-7-6-13(2)10-14)15-8-9-17(20-3)18(11-15)21-4/h8-9,11,13-14,16,19H,5-7,10,12H2,1-4H3
InChIKeyQWEIKDXXXAEECP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.18
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine

1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 107411682) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine
PubChem CID107411682
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine
SMILESCCC(NCC1CCC(C)C1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H29NO2/c1-5-16(19-12-14-7-6-13(2)10-14)15-8-9-17(20-3)18(11-15)21-4/h8-9,11,13-14,16,19H,5-7,10,12H2,1-4H3
InChIKeyQWEIKDXXXAEECP-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 103902141
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine (CID 107411682) is 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine is CCC(NCC1CCC(C)C1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is QWEIKDXXXAEECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-16(19-12-14-7-6-13(2)10-14)15-8-9-17(20-3)18(11-15)21-4/h8-9,11,13-14,16,19H,5-7,10,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 107411682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).