2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol

C16H26N2O — CID 111476786

IUPAC2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
SMILESCCN1CCCN(CC(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-3-17-9-4-10-18(12-11-17)13-16(19)15-7-5-14(2)6-8-15/h5-8,16,19H,3-4,9-13H2,1-2H3
InChIKeyDWHRSLZRHZVQFF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.06
Rot. Bonds4

About 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol

2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol (PubChem CID 111476786) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
PubChem CID111476786
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
SMILESCCN1CCCN(CC(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-3-17-9-4-10-18(12-11-17)13-16(19)15-7-5-14(2)6-8-15/h5-8,16,19H,3-4,9-13H2,1-2H3
InChIKeyDWHRSLZRHZVQFF-UHFFFAOYSA-N
XLogP2.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
2-(4-ethylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 82215931
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methylphenyl)ethanol
CID 63150644
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
1-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 111476546
4-(1-hydroxy-2-pyrrolidin-1-ylethyl)phenol
CID 11492169
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]acetamide
CID 129489844
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
2-[4-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7-ethyl-1,4,7-triazonan-1-yl]acetic acid
CID 158695434
2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol (CID 111476786) is 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol is CCN1CCCN(CC(O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol?
The InChIKey is DWHRSLZRHZVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-9-4-10-18(12-11-17)13-16(19)15-7-5-14(2)6-8-15/h5-8,16,19H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol?
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 111476786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).