1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol

C16H24ClNO — CID 103159801

IUPAC1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
SMILESCN(Cc1ccccc1Cl)CC(O)CC1CCCC1
InChIInChI=1S/C16H24ClNO/c1-18(11-14-8-4-5-9-16(14)17)12-15(19)10-13-6-2-3-7-13/h4-5,8-9,13,15,19H,2-3,6-7,10-12H2,1H3
InChIKeyDOXIFKHIPBWQEF-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.71
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol

1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol (PubChem CID 103159801) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
PubChem CID103159801
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol
SMILESCN(Cc1ccccc1Cl)CC(O)CC1CCCC1
InChIInChI=1S/C16H24ClNO/c1-18(11-14-8-4-5-9-16(14)17)12-15(19)10-13-6-2-3-7-13/h4-5,8-9,13,15,19H,2-3,6-7,10-12H2,1H3
InChIKeyDOXIFKHIPBWQEF-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Benzyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 783336
1,1'-[(3-Chlorobenzyl)imino]di(2-propanol)
CID 2845811
1,1'-[(4-Chlorobenzyl)imino]di(2-propanol)
CID 2846149
1-(2-Chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
CID 12549083
Cambridge id 5425968
CID 782960
Benzyl alcohol, p-chloro-alpha-(benzylethylamino)methyl-
CID 52312
2-[(2-Chlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 11987991
2-[(2-Chlorobenzyl)(propyl)amino]ethanol
CID 782521
2-[(2,6-Dichlorobenzyl)(propyl)amino]ethanol
CID 783524
2-[Benzyl(methyl)amino]-1-(2-chlorophenyl)ethanol
CID 407992
1-{2-[(2-Chloro-4-fluorobenzyl)(methyl)amino]ethyl}cyclopentanol
CID 77090783
N-[(2-chlorophenyl)methyl]-N-methyl-1-[(2R)-oxan-2-yl]methanamine
CID 93930760

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol (CID 103159801) is 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol is CN(Cc1ccccc1Cl)CC(O)CC1CCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol?
The InChIKey is DOXIFKHIPBWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-18(11-14-8-4-5-9-16(14)17)12-15(19)10-13-6-2-3-7-13/h4-5,8-9,13,15,19H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol?
1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol has a molecular weight of 281.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl-methylamino]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103159801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).