[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol

C18H29NO — CID 103965989

IUPAC[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCc1cc(C)cc(C(C)NCC2(CO)CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-14-9-15(2)11-17(10-14)16(3)19-12-18(13-20)7-5-4-6-8-18/h9-11,16,19-20H,4-8,12-13H2,1-3H3
InChIKeyWKQGTRGTKQLJGV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.90
Rot. Bonds5

About [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol

[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 103965989) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID103965989
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
SMILESCc1cc(C)cc(C(C)NCC2(CO)CCCCC2)c1
InChIInChI=1S/C18H29NO/c1-14-9-15(2)11-17(10-14)16(3)19-12-18(13-20)7-5-4-6-8-18/h9-11,16,19-20H,4-8,12-13H2,1-3H3
InChIKeyWKQGTRGTKQLJGV-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358873
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
[1-[[1-(4-propylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965966
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
[1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]cyclopentyl]methanol
CID 115358503
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343754
[1-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]cyclohexyl]methanol
CID 115892911
[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358498

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol (CID 103965989) is [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol is Cc1cc(C)cc(C(C)NCC2(CO)CCCCC2)c1.
What is the InChIKey of [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is WKQGTRGTKQLJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-9-15(2)11-17(10-14)16(3)19-12-18(13-20)7-5-4-6-8-18/h9-11,16,19-20H,4-8,12-13H2,1-3H3.
What are the key properties of [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 275.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).