[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol

C14H20N2O3 — CID 62523971

IUPAC[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
SMILESCc1ccc(CNC2(CO)CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-4-5-12(8-13(11)16(18)19)9-15-14(10-17)6-2-3-7-14/h4-5,8,15,17H,2-3,6-7,9-10H2,1H3
InChIKeyPSAPMLQRNNXPPJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.30
Rot. Bonds5

About [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol

[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol (PubChem CID 62523971) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
PubChem CID62523971
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
SMILESCc1ccc(CNC2(CO)CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-4-5-12(8-13(11)16(18)19)9-15-14(10-17)6-2-3-7-14/h4-5,8,15,17H,2-3,6-7,9-10H2,1H3
InChIKeyPSAPMLQRNNXPPJ-UHFFFAOYSA-N
XLogP2.30
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
CID 115733413
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721
[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-3-nitrobenzenesulfonamide
CID 62522303
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
2-[(4-methyl-3-nitrophenyl)methylamino]acetic acid
CID 43774185
2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6-nitrobenzoic acid
CID 103249236
1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069
5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 107303000

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol (CID 62523971) is [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol is Cc1ccc(CNC2(CO)CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol?
The InChIKey is PSAPMLQRNNXPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-4-5-12(8-13(11)16(18)19)9-15-14(10-17)6-2-3-7-14/h4-5,8,15,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol?
[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol has a molecular weight of 264.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 62523971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).