3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol

C17H27NO — CID 103785848

IUPAC3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(C(C)NCC2CCCC(O)C2)cc1C
InChIInChI=1S/C17H27NO/c1-12-7-8-16(9-13(12)2)14(3)18-11-15-5-4-6-17(19)10-15/h7-9,14-15,17-19H,4-6,10-11H2,1-3H3
InChIKeyFKZWBHSDWXPVBJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds4

About 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol

3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103785848) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID103785848
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(C(C)NCC2CCCC(O)C2)cc1C
InChIInChI=1S/C17H27NO/c1-12-7-8-16(9-13(12)2)14(3)18-11-15-5-4-6-17(19)10-15/h7-9,14-15,17-19H,4-6,10-11H2,1-3H3
InChIKeyFKZWBHSDWXPVBJ-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417364
3-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785860
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
2-[1-[(3-hydroxycyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 106124250
3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785809
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785946
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785944

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 103785848) is 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol is Cc1ccc(C(C)NCC2CCCC(O)C2)cc1C.
What is the InChIKey of 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is FKZWBHSDWXPVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-7-8-16(9-13(12)2)14(3)18-11-15-5-4-6-17(19)10-15/h7-9,14-15,17-19H,4-6,10-11H2,1-3H3.
What are the key properties of 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol?
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).