1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol

C16H24ClNO2 — CID 63713720

IUPAC1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1)CC1CCOCC1
InChIInChI=1S/C16H24ClNO2/c1-18(12-13-6-9-20-10-7-13)8-5-16(19)14-3-2-4-15(17)11-14/h2-4,11,13,16,19H,5-10,12H2,1H3
InChIKeyRCLSNGMJZJIIKV-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.12
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol

1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol (PubChem CID 63713720) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
PubChem CID63713720
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1)CC1CCOCC1
InChIInChI=1S/C16H24ClNO2/c1-18(12-13-6-9-20-10-7-13)8-5-16(19)14-3-2-4-15(17)11-14/h2-4,11,13,16,19H,5-10,12H2,1H3
InChIKeyRCLSNGMJZJIIKV-UHFFFAOYSA-N
XLogP3.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
1-(3-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743304
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
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)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
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-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol (CID 63713720) is 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol is CN(CCC(O)c1cccc(Cl)c1)CC1CCOCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol?
The InChIKey is RCLSNGMJZJIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-18(12-13-6-9-20-10-7-13)8-5-16(19)14-3-2-4-15(17)11-14/h2-4,11,13,16,19H,5-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol?
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 63713720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).