1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol

C15H22N2O4 — CID 111425458

IUPAC1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
SMILESCOc1ccc(CNCC(O)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-21-15-7-6-11(8-13(15)17(19)20)9-16-10-14(18)12-4-2-3-5-12/h6-8,12,14,16,18H,2-5,9-10H2,1H3
InChIKeyZAUHNUBVCVZMPE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.24
Rot. Bonds7

About 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol

1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol (PubChem CID 111425458) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
PubChem CID111425458
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
SMILESCOc1ccc(CNCC(O)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O4/c1-21-15-7-6-11(8-13(15)17(19)20)9-16-10-14(18)12-4-2-3-5-12/h6-8,12,14,16,18H,2-5,9-10H2,1H3
InChIKeyZAUHNUBVCVZMPE-UHFFFAOYSA-N
XLogP2.24
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol
CID 111425363
1-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylpentan-2-ol
CID 111119053
1-[(4-methoxy-3-nitrophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110905261
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 65021909
3-[[(4-methoxy-3-nitrophenyl)methylamino]methyl]hexan-1-ol
CID 103707788
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
CID 103700101
2-[(4-methoxy-3-nitrophenyl)methylamino]propan-1-ol
CID 43499927
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 106787482
N-[(4-methoxy-3-nitrophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881430
4-[(4-methoxy-3-nitrophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509874
2-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutan-1-ol
CID 79249779

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol (CID 111425458) is 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol is COc1ccc(CNCC(O)C2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol?
The InChIKey is ZAUHNUBVCVZMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-15-7-6-11(8-13(15)17(19)20)9-16-10-14(18)12-4-2-3-5-12/h6-8,12,14,16,18H,2-5,9-10H2,1H3.
What are the key properties of 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol?
1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol has a molecular weight of 294.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol is sourced from PubChem (CID 111425458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).