3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol

C18H29NO — CID 24740218

IUPAC3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol
SMILESCN(C)C(c1ccccc1)C1CCC(CCCO)CC1
InChIInChI=1S/C18H29NO/c1-19(2)18(16-8-4-3-5-9-16)17-12-10-15(11-13-17)7-6-14-20/h3-5,8-9,15,17-18,20H,6-7,10-14H2,1-2H3
InChIKeyJIDKBBRDAPCMHB-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.87
Rot. Bonds6

About 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol

3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol (PubChem CID 24740218) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol
PubChem CID24740218
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol
SMILESCN(C)C(c1ccccc1)C1CCC(CCCO)CC1
InChIInChI=1S/C18H29NO/c1-19(2)18(16-8-4-3-5-9-16)17-12-10-15(11-13-17)7-6-14-20/h3-5,8-9,15,17-18,20H,6-7,10-14H2,1-2H3
InChIKeyJIDKBBRDAPCMHB-UHFFFAOYSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-butylcyclohexyl)-chloromethyl]benzene
CID 63429103
4-[cyclohexyl(dimethylamino)methyl]benzoic acid
CID 116908454
4-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 151854215
(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate
CID 67357556
5-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 150793787
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717
(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
CID 24739897
1-[4-(2,4-difluorophenyl)cyclohexyl]-N,N-dimethyl-1-phenylmethanamine
CID 173065751
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762
N-[4-[dimethylamino(phenyl)methyl]cyclohexyl]adamantane-1-carboxamide
CID 140543011
4-[(4-bromophenyl)-(dimethylamino)methyl]cyclohexan-1-ol
CID 116911196

Frequently Asked Questions

What is the IUPAC name of 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol?
The IUPAC name of 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol (CID 24740218) is 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol?
The canonical SMILES for 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol is CN(C)C(c1ccccc1)C1CCC(CCCO)CC1.
What is the InChIKey of 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol?
The InChIKey is JIDKBBRDAPCMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-19(2)18(16-8-4-3-5-9-16)17-12-10-15(11-13-17)7-6-14-20/h3-5,8-9,15,17-18,20H,6-7,10-14H2,1-2H3.
What are the key properties of 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol?
3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[dimethylamino(phenyl)methyl]cyclohexyl]propan-1-ol is sourced from PubChem (CID 24740218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).