1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol

C18H29NO — CID 79074275

IUPAC1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H29NO/c1-15-10-6-7-11-16(15)14-17(20)18(19(2)3)12-8-4-5-9-13-18/h6-7,10-11,17,20H,4-5,8-9,12-14H2,1-3H3
InChIKeyOSIXFRYAZQCXCN-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.55
Rot. Bonds4

About 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol

1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol (PubChem CID 79074275) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
PubChem CID79074275
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H29NO/c1-15-10-6-7-11-16(15)14-17(20)18(19(2)3)12-8-4-5-9-13-18/h6-7,10-11,17,20H,4-5,8-9,12-14H2,1-3H3
InChIKeyOSIXFRYAZQCXCN-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 79058648
1-[1-(dimethylamino)cyclopentyl]-2-pyridin-2-ylethanol
CID 79067775
2-(2-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066492
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 82920040
1-(dimethylamino)-3-(2-methylphenyl)propan-2-ol
CID 79087104
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363
[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
CID 63543365
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
CID 63542153

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol (CID 79074275) is 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol?
The InChIKey is OSIXFRYAZQCXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15-10-6-7-11-16(15)14-17(20)18(19(2)3)12-8-4-5-9-13-18/h6-7,10-11,17,20H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol?
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 79074275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).