1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol

C17H27NO2 — CID 79067614

IUPAC1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)C2(N(C)C)CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-18(2)17(12-4-5-13-17)16(19)11-8-14-6-9-15(20-3)10-7-14/h6-7,9-10,16,19H,4-5,8,11-13H2,1-3H3
InChIKeyATWRWGCRWYXRFC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds6

About 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol

1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 79067614) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol
PubChem CID79067614
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)C2(N(C)C)CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-18(2)17(12-4-5-13-17)16(19)11-8-14-6-9-15(20-3)10-7-14/h6-7,9-10,16,19H,4-5,8,11-13H2,1-3H3
InChIKeyATWRWGCRWYXRFC-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)cyclohexyl]-(4-methoxyphenyl)methanol
CID 79067098
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propan-1-amine
CID 106830149
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
[3-(4-methoxyphenyl)-1-(1-methylcyclohexyl)propyl]hydrazine
CID 106831235
1-(4-methoxyphenyl)hex-5-en-3-ol
CID 73210923
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
(2,5-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanol
CID 79067398
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
CID 79423809
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol (CID 79067614) is 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)C2(N(C)C)CCCC2)cc1.
What is the InChIKey of 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is ATWRWGCRWYXRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18(2)17(12-4-5-13-17)16(19)11-8-14-6-9-15(20-3)10-7-14/h6-7,9-10,16,19H,4-5,8,11-13H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol?
1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclopentyl]-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 79067614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).