1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride

C22H32ClNO — CID 139844741

IUPAC1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride
SMILESCCC(O)(CCc1ccccc1)C(C)C(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C22H31NO.ClH/c1-5-22(24,17-16-19-12-8-6-9-13-19)18(2)21(23(3)4)20-14-10-7-11-15-20;/h6-15,18,21,24H,5,16-17H2,1-4H3;1H
InChIKeyKGROUFIGULKAEB-UHFFFAOYSA-N
MW361.96 g/mol
LogP5.12
Rot. Bonds8

About 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride

1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride (PubChem CID 139844741) has the molecular formula C22H32ClNO and a molecular weight of 361.96 g/mol. Its IUPAC name is 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride
PubChem CID139844741
Molecular FormulaC22H32ClNO
Molecular Weight361.96 g/mol
Exact Mass361.22
IUPAC Name1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride
SMILESCCC(O)(CCc1ccccc1)C(C)C(c1ccccc1)N(C)C.Cl
InChIInChI=1S/C22H31NO.ClH/c1-5-22(24,17-16-19-12-8-6-9-13-19)18(2)21(23(3)4)20-14-10-7-11-15-20;/h6-15,18,21,24H,5,16-17H2,1-4H3;1H
InChIKeyKGROUFIGULKAEB-UHFFFAOYSA-N
XLogP5.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.96
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
(1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol
CID 11055205
1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
CID 172694063
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
6-(dimethylamino)-1,4-diphenylheptan-4-ol
CID 20976611
tert-butyl 3-hydroxy-4-methyl-3-(2-phenylethyl)pentanoate
CID 54454265
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
3-ethyl-4-methyl-1-phenylpentan-3-amine
CID 60922905
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 67414377
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
CID 65061373

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride?
The IUPAC name of 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride (CID 139844741) is 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride is CCC(O)(CCc1ccccc1)C(C)C(c1ccccc1)N(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride?
The InChIKey is KGROUFIGULKAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.ClH/c1-5-22(24,17-16-19-12-8-6-9-13-19)18(2)21(23(3)4)20-14-10-7-11-15-20;/h6-15,18,21,24H,5,16-17H2,1-4H3;1H.
What are the key properties of 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride?
1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride is sourced from PubChem (CID 139844741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).