1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one

C15H22N2O2 — CID 82258397

IUPAC1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one
SMILESCOc1ccc(C(=O)C(C)NC2CCCC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-10(17-12-5-3-4-6-12)15(18)11-7-8-14(19-2)13(16)9-11/h7-10,12,17H,3-6,16H2,1-2H3
InChIKeyYFBNZHPIKDPKJA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one

1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one (PubChem CID 82258397) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one
PubChem CID82258397
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one
SMILESCOc1ccc(C(=O)C(C)NC2CCCC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-10(17-12-5-3-4-6-12)15(18)11-7-8-14(19-2)13(16)9-11/h7-10,12,17H,3-6,16H2,1-2H3
InChIKeyYFBNZHPIKDPKJA-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-one
CID 98017254
2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100983
2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
3-(cyclopropylamino)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
CID 82322560
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide
CID 171933111
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82258535

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one (CID 82258397) is 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one is COc1ccc(C(=O)C(C)NC2CCCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one?
The InChIKey is YFBNZHPIKDPKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(17-12-5-3-4-6-12)15(18)11-7-8-14(19-2)13(16)9-11/h7-10,12,17H,3-6,16H2,1-2H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one?
1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-2-(cyclopentylamino)propan-1-one is sourced from PubChem (CID 82258397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).