1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol

C16H24ClNO — CID 63655492

IUPAC1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C16H24ClNO/c1-18(12-13-5-2-3-6-13)10-9-16(19)14-7-4-8-15(17)11-14/h4,7-8,11,13,16,19H,2-3,5-6,9-10,12H2,1H3
InChIKeyYMUFCEBCKXUOOP-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.89
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol

1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol (PubChem CID 63655492) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
PubChem CID63655492
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1)CC1CCCC1
InChIInChI=1S/C16H24ClNO/c1-18(12-13-5-2-3-6-13)10-9-16(19)14-7-4-8-15(17)11-14/h4,7-8,11,13,16,19H,2-3,5-6,9-10,12H2,1H3
InChIKeyYMUFCEBCKXUOOP-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
1-(3-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743304
3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
CID 62624570
1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63487553

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol (CID 63655492) is 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol is CN(CCC(O)c1cccc(Cl)c1)CC1CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol?
The InChIKey is YMUFCEBCKXUOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-18(12-13-5-2-3-6-13)10-9-16(19)14-7-4-8-15(17)11-14/h4,7-8,11,13,16,19H,2-3,5-6,9-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol?
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol has a molecular weight of 281.83 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 63655492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).