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

C14H20N2O3 — CID 103717133

IUPAC[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
SMILESCC(NC1CCCC1CO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-10(15-13-7-4-5-11(13)9-17)12-6-2-3-8-14(12)16(18)19/h2-3,6,8,10-11,13,15,17H,4-5,7,9H2,1H3
InChIKeyLPBLLSMFYYNFNK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.41
Rot. Bonds5

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

[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol (PubChem CID 103717133) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
PubChem CID103717133
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
SMILESCC(NC1CCCC1CO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-10(15-13-7-4-5-11(13)9-17)12-6-2-3-8-14(12)16(18)19/h2-3,6,8,10-11,13,15,17H,4-5,7,9H2,1H3
InChIKeyLPBLLSMFYYNFNK-UHFFFAOYSA-N
XLogP2.41
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.41
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

2-{[(2-Nitrophenyl)methyl]amino}ethan-1-ol
CID 21803016
(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
CID 40727263
2-Propanol, 1-isopropylamino-3-(p-nitrophenyl)-
CID 3056697
5-[(2-Nitrophenyl)methylamino]pentan-1-ol
CID 25163872
4-[(2-Nitrophenyl)methylamino]butan-1-ol
CID 25161742
Rac-(1r,4r)-4-{[(2-nitrophenyl)methyl]amino}cyclohexan-1-ol
CID 28615207
N-(2-nitrobenzyl)cyclopentanamine
CID 792701
N-[(2-nitrophenyl)methyl]octan-1-amine
CID 12245582
3-(3-Nitrophenyl)-3-(octylamino)propan-1-ol
CID 16078856
3-(Dodecylamino)-3-(3-nitrophenyl)propan-1-ol
CID 16078857
Benzene, 1-(1-hydroxy-2-isopropylamino)ethyl-2-nitro-
CID 54182099
(2S,3S)-3-amino-2-methyl-3-(4-nitrophenyl)propan-1-ol
CID 12002689

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol?
The IUPAC name of [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol (CID 103717133) is [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol is CC(NC1CCCC1CO)c1ccccc1[N+](=O)[O-].
What is the InChIKey of [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol?
The InChIKey is LPBLLSMFYYNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(15-13-7-4-5-11(13)9-17)12-6-2-3-8-14(12)16(18)19/h2-3,6,8,10-11,13,15,17H,4-5,7,9H2,1H3.
What are the key properties of [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol?
[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol has a molecular weight of 264.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol is sourced from PubChem (CID 103717133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).