[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol

C14H20BrClN2O — CID 106360089

IUPAC[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol
SMILESNCC(NC1CCCC1CO)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H20BrClN2O/c15-10-4-5-12(16)11(6-10)14(7-17)18-13-3-1-2-9(13)8-19/h4-6,9,13-14,18-19H,1-3,7-8,17H2
InChIKeyKOXXKCFSITXWMQ-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.85
Rot. Bonds5

About [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol

[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol (PubChem CID 106360089) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol
PubChem CID106360089
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol
SMILESNCC(NC1CCCC1CO)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H20BrClN2O/c15-10-4-5-12(16)11(6-10)14(7-17)18-13-3-1-2-9(13)8-19/h4-6,9,13-14,18-19H,1-3,7-8,17H2
InChIKeyKOXXKCFSITXWMQ-UHFFFAOYSA-N
XLogP2.85
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-amino-1-(2,5-dichlorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106359961
[2-[[2-amino-1-(2,5-dimethylphenyl)ethyl]amino]cyclopentyl]methanol
CID 106360163
[2-[[2-amino-1-(2-fluorophenyl)ethyl]amino]cyclopentyl]methanol
CID 114178543
[2-[(2-amino-1-naphthalen-1-ylethyl)amino]cyclopentyl]methanol
CID 106360045
[2-[1-(2,4-dibromophenyl)ethylamino]cyclopentyl]methanol
CID 103786074
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylethyl)ethane-1,2-diamine
CID 114076857
[2-[1-(3-bromophenyl)propylamino]cyclopentyl]methanol
CID 113262133
[2-[[2-amino-1-(2-fluoro-5-methylphenyl)ethyl]amino]cyclohexyl]methanol
CID 106360487
[2-[(2-amino-1-thiophen-2-ylethyl)amino]cyclopentyl]methanol
CID 106360158
[2-[[2-amino-1-(3,4,5-trifluorophenyl)ethyl]amino]cyclopentyl]methanol
CID 106360126
1-(5-bromo-2-chlorophenyl)-N-(2-cyclopropylpropyl)ethane-1,2-diamine
CID 114076876
[2-[[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]amino]cyclopentyl]methanol
CID 106359996

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol?
The IUPAC name of [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol (CID 106360089) is [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol?
The canonical SMILES for [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol is NCC(NC1CCCC1CO)c1cc(Br)ccc1Cl.
What is the InChIKey of [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol?
The InChIKey is KOXXKCFSITXWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c15-10-4-5-12(16)11(6-10)14(7-17)18-13-3-1-2-9(13)8-19/h4-6,9,13-14,18-19H,1-3,7-8,17H2.
What are the key properties of [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol?
[2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol has a molecular weight of 347.68 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-1-(5-bromo-2-chlorophenyl)ethyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 106360089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).