2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol

C14H20N2O4 — CID 106360676

IUPAC2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C(O)CNC2CCCC2CO)cc1
InChIInChI=1S/C14H20N2O4/c17-9-11-2-1-3-13(11)15-8-14(18)10-4-6-12(7-5-10)16(19)20/h4-7,11,13-15,17-18H,1-3,8-9H2
InChIKeyMCCSRCWJQRRDHU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.38
Rot. Bonds6

About 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol

2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol (PubChem CID 106360676) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol
PubChem CID106360676
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(C(O)CNC2CCCC2CO)cc1
InChIInChI=1S/C14H20N2O4/c17-9-11-2-1-3-13(11)15-8-14(18)10-4-6-12(7-5-10)16(19)20/h4-7,11,13-15,17-18H,1-3,8-9H2
InChIKeyMCCSRCWJQRRDHU-UHFFFAOYSA-N
XLogP1.38
TPSA95.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
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

2-[[2-(hydroxymethyl)cyclohexyl]amino]-1-(3-nitrophenyl)ethanol
CID 86816929
(1S)-2-[[(1R,2R)-2-(hydroxymethyl)cyclohexyl]amino]-1-(3-nitrophenyl)ethanol
CID 129435834
2-[(2-methoxycyclopentyl)amino]-1-(4-nitrophenyl)ethanol
CID 115344969
4-[1-hydroxy-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethyl]benzonitrile
CID 106360637
N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclobutanecarboxamide
CID 51716100
2-[(3,5-dimethylcyclohexyl)amino]-1-(4-nitrophenyl)ethanol
CID 115338787
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
CID 94052165
1-cyclopropyl-2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]ethanol
CID 115344990
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1-(4-nitrophenyl)ethanol
CID 81337971
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
1-(2-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 106360636
4-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
CID 106188907

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol (CID 106360676) is 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol is O=[N+]([O-])c1ccc(C(O)CNC2CCCC2CO)cc1.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol?
The InChIKey is MCCSRCWJQRRDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-9-11-2-1-3-13(11)15-8-14(18)10-4-6-12(7-5-10)16(19)20/h4-7,11,13-15,17-18H,1-3,8-9H2.
What are the key properties of 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol?
2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol has a molecular weight of 280.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclopentyl]amino]-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 106360676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).