[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol

C14H20N2O3 — CID 62517939

IUPAC[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
SMILESCc1c(CNC2(CO)CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-12(5-4-6-13(11)16(18)19)9-15-14(10-17)7-2-3-8-14/h4-6,15,17H,2-3,7-10H2,1H3
InChIKeyFKGYVTTYHBPZKY-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.30
Rot. Bonds5

About [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol

[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol (PubChem CID 62517939) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
PubChem CID62517939
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
SMILESCc1c(CNC2(CO)CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-11-12(5-4-6-13(11)16(18)19)9-15-14(10-17)7-2-3-8-14/h4-6,15,17H,2-3,7-10H2,1H3
InChIKeyFKGYVTTYHBPZKY-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'}

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Related Compounds

[4-methyl-1-[(2-methyl-3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62552844
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6-nitrobenzoic acid
CID 103249236
2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-6-nitrobenzoic acid
CID 103268098
[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62523971
[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733266
1-[(2-methyl-3-nitrophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 103113094
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
N,N-dimethyl-1-[[(2-methyl-3-nitrophenyl)methylamino]methyl]cyclopentan-1-amine
CID 83113145
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol (CID 62517939) is [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol is Cc1c(CNC2(CO)CCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol?
The InChIKey is FKGYVTTYHBPZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-12(5-4-6-13(11)16(18)19)9-15-14(10-17)7-2-3-8-14/h4-6,15,17H,2-3,7-10H2,1H3.
What are the key properties of [1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol?
[1-[(2-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-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 62517939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).