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

C13H18N2O3 — CID 62524809

IUPAC[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1cccc(CNC2(CO)CCCC2)c1
InChIInChI=1S/C13H18N2O3/c16-10-13(6-1-2-7-13)14-9-11-4-3-5-12(8-11)15(17)18/h3-5,8,14,16H,1-2,6-7,9-10H2
InChIKeyVESWGTXBASIHMA-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.99
Rot. Bonds5

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

[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol (PubChem CID 62524809) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
PubChem CID62524809
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1cccc(CNC2(CO)CCCC2)c1
InChIInChI=1S/C13H18N2O3/c16-10-13(6-1-2-7-13)14-9-11-4-3-5-12(8-11)15(17)18/h3-5,8,14,16H,1-2,6-7,9-10H2
InChIKeyVESWGTXBASIHMA-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

[3-methyl-1-[(3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62553332
2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6-nitrobenzoic acid
CID 103249236
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine
CID 103753070
2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-6-nitrobenzoic acid
CID 103268098
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide
CID 71848857
1-N,2-N-bis[(3-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040610
[1-[[3-(trifluoromethoxy)phenyl]methylamino]cyclopentyl]methanol
CID 103740393
N-[(1-ethylcyclobutyl)methyl]-1-(3-nitrophenyl)methanamine
CID 113252692

Frequently Asked Questions

What is the IUPAC name of [1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol (CID 62524809) is [1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol is O=[N+]([O-])c1cccc(CNC2(CO)CCCC2)c1.
What is the InChIKey of [1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol?
The InChIKey is VESWGTXBASIHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-13(6-1-2-7-13)14-9-11-4-3-5-12(8-11)15(17)18/h3-5,8,14,16H,1-2,6-7,9-10H2.
What are the key properties of [1-[(3-nitrophenyl)methylamino]cyclopentyl]methanol?
[1-[(3-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-[(3-nitrophenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 62524809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).