[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol

C18H29NO2 — CID 79063099

IUPAC[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H29NO2/c1-14-9-10-16(21-4)15(13-14)17(20)18(19(2)3)11-7-5-6-8-12-18/h9-10,13,17,20H,5-8,11-12H2,1-4H3
InChIKeyUDBIFOQIXXACSH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.69
Rot. Bonds4

About [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol

[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol (PubChem CID 79063099) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
PubChem CID79063099
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
SMILESCOc1ccc(C)cc1C(O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H29NO2/c1-14-9-10-16(21-4)15(13-14)17(20)18(19(2)3)11-7-5-6-8-12-18/h9-10,13,17,20H,5-8,11-12H2,1-4H3
InChIKeyUDBIFOQIXXACSH-UHFFFAOYSA-N
XLogP3.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82769611
(2,5-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067398
(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(1-ethoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753700
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79061364
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
CID 79066938
[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol
CID 79075014
(2-methoxy-5-methylphenyl)-(1-methylcyclohexyl)methanamine
CID 106826973
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
[1-(dimethylamino)cyclopentyl]-(2-ethoxyphenyl)methanol
CID 79067542
[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82771557
[1-(dimethylamino)cyclohexyl]-(4-methoxyphenyl)methanol
CID 79067098

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol?
The IUPAC name of [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol (CID 79063099) is [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol?
The canonical SMILES for [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol is COc1ccc(C)cc1C(O)C1(N(C)C)CCCCCC1.
What is the InChIKey of [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol?
The InChIKey is UDBIFOQIXXACSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-9-10-16(21-4)15(13-14)17(20)18(19(2)3)11-7-5-6-8-12-18/h9-10,13,17,20H,5-8,11-12H2,1-4H3.
What are the key properties of [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol?
[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol has a molecular weight of 291.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 79063099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).