1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol

C17H27NO — CID 112678870

IUPAC1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)CC1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-17(19)15-11-7-8-12-16(15)18(2)13-14-9-5-4-6-10-14/h7-8,11-12,14,17,19H,3-6,9-10,13H2,1-2H3
InChIKeyDXNYSVSJMRUSGC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.15
Rot. Bonds5

About 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol

1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol (PubChem CID 112678870) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
PubChem CID112678870
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N(C)CC1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-17(19)15-11-7-8-12-16(15)18(2)13-14-9-5-4-6-10-14/h7-8,11-12,14,17,19H,3-6,9-10,13H2,1-2H3
InChIKeyDXNYSVSJMRUSGC-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
CID 103960164
2-[cyclohexylmethyl(methyl)amino]benzenecarbothioamide
CID 54948078
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950295
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
N-(cyclopropylmethyl)-N-methyl-2-[1-(propylamino)propyl]aniline
CID 112677945

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol (CID 112678870) is 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol is CCC(O)c1ccccc1N(C)CC1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol?
The InChIKey is DXNYSVSJMRUSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-17(19)15-11-7-8-12-16(15)18(2)13-14-9-5-4-6-10-14/h7-8,11-12,14,17,19H,3-6,9-10,13H2,1-2H3.
What are the key properties of 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol?
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 112678870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).