1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride

C20H26Cl3NO — CID 3060428

IUPAC1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride
SMILESCCN(CC)CC(C)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C20H25Cl2NO.ClH/c1-4-23(5-2)14-15(3)20(24,16-8-6-10-18(21)12-16)17-9-7-11-19(22)13-17;/h6-13,15,24H,4-5,14H2,1-3H3;1H
InChIKeyUWVDKISLNWEUAZ-UHFFFAOYSA-N
MW402.79 g/mol
LogP5.63
Rot. Bonds7

About 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride

1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride (PubChem CID 3060428) has the molecular formula C20H26Cl3NO and a molecular weight of 402.79 g/mol. Its IUPAC name is 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride
PubChem CID3060428
Molecular FormulaC20H26Cl3NO
Molecular Weight402.79 g/mol
Exact Mass401.11
IUPAC Name1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride
SMILESCCN(CC)CC(C)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C20H25Cl2NO.ClH/c1-4-23(5-2)14-15(3)20(24,16-8-6-10-18(21)12-16)17-9-7-11-19(22)13-17;/h6-13,15,24H,4-5,14H2,1-3H3;1H
InChIKeyUWVDKISLNWEUAZ-UHFFFAOYSA-N
XLogP5.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.79
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride (CID 3060428) is 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride is CCN(CC)CC(C)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride?
The InChIKey is UWVDKISLNWEUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO.ClH/c1-4-23(5-2)14-15(3)20(24,16-8-6-10-18(21)12-16)17-9-7-11-19(22)13-17;/h6-13,15,24H,4-5,14H2,1-3H3;1H.
What are the key properties of 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride?
1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride has a molecular weight of 402.79 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3060428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).