1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol

C15H22ClNO — CID 3056581

IUPAC1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3
InChIKeyYCYVEJKHHUUACO-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol

1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 3056581) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID3056581
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3
InChIKeyYCYVEJKHHUUACO-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 3056581) is 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CCCCC1(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is YCYVEJKHHUUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-17(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(16)10-12/h5,7-8,10,13,18H,3-4,6,9,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 3056581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).