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

C13H18N2O3 — CID 62524980

IUPAC[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccccc1CNC1(CO)CCCC1
InChIInChI=1S/C13H18N2O3/c16-10-13(7-3-4-8-13)14-9-11-5-1-2-6-12(11)15(17)18/h1-2,5-6,14,16H,3-4,7-10H2
InChIKeyKAUNQATUTKMHPK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.99
Rot. Bonds5

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

[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol (PubChem CID 62524980) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
PubChem CID62524980
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccccc1CNC1(CO)CCCC1
InChIInChI=1S/C13H18N2O3/c16-10-13(7-3-4-8-13)14-9-11-5-1-2-6-12(11)15(17)18/h1-2,5-6,14,16H,3-4,7-10H2
InChIKeyKAUNQATUTKMHPK-UHFFFAOYSA-N
XLogP1.99
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.99
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

[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6-nitrobenzoic acid
CID 103249236
2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-6-nitrobenzoic acid
CID 103268098
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825
N-[1-(hydroxymethyl)cyclopropyl]-2-(2-nitrophenyl)acetamide
CID 115764632
[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62523971
[4-methyl-1-[(2-methyl-3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62552844
[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524809
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
[1-[(2-chloro-5-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62521499
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
(2-nitrophenyl)methylcarbamic acid
CID 18621803

Frequently Asked Questions

What is the IUPAC name of [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol (CID 62524980) is [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol is O=[N+]([O-])c1ccccc1CNC1(CO)CCCC1.
What is the InChIKey of [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol?
The InChIKey is KAUNQATUTKMHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-13(7-3-4-8-13)14-9-11-5-1-2-6-12(11)15(17)18/h1-2,5-6,14,16H,3-4,7-10H2.
What are the key properties of [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol?
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol has a molecular weight of 250.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 62524980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).