2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol

C18H29NO — CID 65282317

IUPAC2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(O)CN2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-4-15-6-8-16(9-7-15)17(20)14-19-12-5-10-18(2,3)11-13-19/h6-9,17,20H,4-5,10-14H2,1-3H3
InChIKeyCFVQIZCJZSQBPR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.79
Rot. Bonds4

About 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol

2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol (PubChem CID 65282317) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
PubChem CID65282317
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(O)CN2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-4-15-6-8-16(9-7-15)17(20)14-19-12-5-10-18(2,3)11-13-19/h6-9,17,20H,4-5,10-14H2,1-3H3
InChIKeyCFVQIZCJZSQBPR-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
2-(8-azaspiro[4.5]decan-8-yl)-1-(4-ethylphenyl)ethanol
CID 63159565
1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
CID 79037737
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
CID 82217030
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
3-(4,4-dimethylazepan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 65282401

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol?
The IUPAC name of 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol (CID 65282317) is 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol.
What is the SMILES notation for 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol?
The canonical SMILES for 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol is CCc1ccc(C(O)CN2CCCC(C)(C)CC2)cc1.
What is the InChIKey of 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol?
The InChIKey is CFVQIZCJZSQBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-6-8-16(9-7-15)17(20)14-19-12-5-10-18(2,3)11-13-19/h6-9,17,20H,4-5,10-14H2,1-3H3.
What are the key properties of 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol?
2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol has a molecular weight of 275.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol is sourced from PubChem (CID 65282317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).