[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol

C17H27NO — CID 79075014

IUPAC[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2(N(C)C)CCCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14-8-10-15(11-9-14)16(19)17(18(2)3)12-6-4-5-7-13-17/h8-11,16,19H,4-7,12-13H2,1-3H3
InChIKeySIRJPMPEKBPIRZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.68
Rot. Bonds3

About [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol

[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol (PubChem CID 79075014) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol
PubChem CID79075014
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2(N(C)C)CCCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14-8-10-15(11-9-14)16(19)17(18(2)3)12-6-4-5-7-13-17/h8-11,16,19H,4-7,12-13H2,1-3H3
InChIKeySIRJPMPEKBPIRZ-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(dimethylamino)cyclohexyl]-(4-methoxyphenyl)methanol
CID 79067098
(4-tert-butylphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067862
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099
[1-(dimethylamino)cyclopentyl]-(furan-3-yl)methanol
CID 79067235
1-[hydroxy-(4-methylphenyl)methyl]cyclobutan-1-ol
CID 59815118
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
CID 79066938
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol?
The IUPAC name of [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol (CID 79075014) is [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol.
What is the SMILES notation for [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol?
The canonical SMILES for [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol is Cc1ccc(C(O)C2(N(C)C)CCCCCC2)cc1.
What is the InChIKey of [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol?
The InChIKey is SIRJPMPEKBPIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-8-10-15(11-9-14)16(19)17(18(2)3)12-6-4-5-7-13-17/h8-11,16,19H,4-7,12-13H2,1-3H3.
What are the key properties of [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol?
[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol has a molecular weight of 261.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol is sourced from PubChem (CID 79075014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).