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

C15H22N2O3 — CID 111425363

IUPAC1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-11-6-7-12(8-14(11)17(19)20)9-16-10-15(18)13-4-2-3-5-13/h6-8,13,15-16,18H,2-5,9-10H2,1H3
InChIKeyVOPBBULMCCERGY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.54
Rot. Bonds6

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

1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol (PubChem CID 111425363) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol
PubChem CID111425363
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)C2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O3/c1-11-6-7-12(8-14(11)17(19)20)9-16-10-15(18)13-4-2-3-5-13/h6-8,13,15-16,18H,2-5,9-10H2,1H3
InChIKeyVOPBBULMCCERGY-UHFFFAOYSA-N
XLogP2.54
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.54
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-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
CID 111425458
N-(2-cyclohexyl-2-hydroxyethyl)-4-methyl-3-nitrobenzamide
CID 90498788
3-methyl-N-[(4-methyl-3-nitrophenyl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904591
2-[(4-methyl-3-nitrophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115581331
2-[(4-methyl-3-nitrophenyl)methylamino]acetic acid
CID 43774185
1-cyclohexyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 166350994
2-methyl-5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 103859629
2-methyl-N-[(4-methyl-3-nitrophenyl)methyl]prop-2-en-1-amine
CID 114615877
5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 107303000
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447
1-cyclopropyl-2-[(5-fluoro-2-nitrophenyl)methylamino]ethanol
CID 63296533
N-[(4-methyl-3-nitrophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 43222729

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol?
The IUPAC name of 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol (CID 111425363) is 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol is Cc1ccc(CNCC(O)C2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol?
The InChIKey is VOPBBULMCCERGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-6-7-12(8-14(11)17(19)20)9-16-10-15(18)13-4-2-3-5-13/h6-8,13,15-16,18H,2-5,9-10H2,1H3.
What are the key properties of 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol?
1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol has a molecular weight of 278.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(4-methyl-3-nitrophenyl)methylamino]ethanol is sourced from PubChem (CID 111425363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).