[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol

C15H22N2O3 — CID 115358498

IUPAC[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol
SMILESCC(NCC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O3/c1-12(13-5-4-6-14(9-13)17(19)20)16-10-15(11-18)7-2-3-8-15/h4-6,9,12,16,18H,2-3,7-8,10-11H2,1H3
InChIKeyHRBXASZYQRQUBI-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.80
Rot. Bonds6

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

[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol (PubChem CID 115358498) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol
PubChem CID115358498
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol
SMILESCC(NCC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H22N2O3/c1-12(13-5-4-6-14(9-13)17(19)20)16-10-15(11-18)7-2-3-8-15/h4-6,9,12,16,18H,2-3,7-8,10-11H2,1H3
InChIKeyHRBXASZYQRQUBI-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
4-[[1-(3-nitrophenyl)ethylamino]methyl]thian-4-ol
CID 111521950
N-[(4-methyloxan-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 103903337
2-[1-(3-nitrophenyl)ethylamino]ethanol
CID 43089007
1-[2-[[(1R)-1-(3-nitrophenyl)ethyl]amino]ethyl]cyclobutan-1-ol
CID 125142524
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 103716993
[3-[[[(3-nitrophenyl)-phenylmethyl]amino]methyl]oxetan-3-yl]methanol
CID 110011234
2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
CID 64684273
2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 115667947
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol (CID 115358498) is [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol is CC(NCC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol?
The InChIKey is HRBXASZYQRQUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(13-5-4-6-14(9-13)17(19)20)16-10-15(11-18)7-2-3-8-15/h4-6,9,12,16,18H,2-3,7-8,10-11H2,1H3.
What are the key properties of [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol?
[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol has a molecular weight of 278.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).