2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol

C14H21ClN2O — CID 55152420

IUPAC2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
SMILESNCc1ccc(N(CCO)C2CCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c15-14-9-13(6-5-11(14)10-16)17(7-8-18)12-3-1-2-4-12/h5-6,9,12,18H,1-4,7-8,10,16H2
InChIKeyPIYSSRQGAYOQIT-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.54
Rot. Bonds5

About 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol

2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol (PubChem CID 55152420) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
PubChem CID55152420
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
SMILESNCc1ccc(N(CCO)C2CCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c15-14-9-13(6-5-11(14)10-16)17(7-8-18)12-3-1-2-4-12/h5-6,9,12,18H,1-4,7-8,10,16H2
InChIKeyPIYSSRQGAYOQIT-UHFFFAOYSA-N
XLogP2.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
CID 62945689
2-[4-(aminomethyl)-N-cyclopentyl-3-fluoroanilino]ethanol
CID 113295415
2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
2-[3-bromo-N-cyclopentyl-4-(hydroxymethyl)anilino]ethanol
CID 114060297
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[2-(aminomethyl)-3-chloro-N-cyclobutylanilino]ethanol
CID 102859788
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
CID 107932834
2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646
2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
CID 102624116
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol (CID 55152420) is 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol is NCc1ccc(N(CCO)C2CCCC2)cc1Cl.
What is the InChIKey of 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol?
The InChIKey is PIYSSRQGAYOQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-14-9-13(6-5-11(14)10-16)17(7-8-18)12-3-1-2-4-12/h5-6,9,12,18H,1-4,7-8,10,16H2.
What are the key properties of 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol?
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol has a molecular weight of 268.79 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol is sourced from PubChem (CID 55152420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).