1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane

C21H29Cl2NO — CID 144747733

IUPAC1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
SMILESCC.CC(O)CN(CCc1ccc(Cl)cc1)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H23Cl2NO.C2H6/c1-15(23)14-22(12-10-16-2-6-18(20)7-3-16)13-11-17-4-8-19(21)9-5-17;1-2/h2-9,15,23H,10-14H2,1H3;1-2H3
InChIKeyAUKKSSAYVPCBBA-UHFFFAOYSA-N
MW382.38 g/mol
LogP5.49
Rot. Bonds8

About 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane

1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane (PubChem CID 144747733) has the molecular formula C21H29Cl2NO and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane.

Molecular Properties

Compound Name1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
PubChem CID144747733
Molecular FormulaC21H29Cl2NO
Molecular Weight382.38 g/mol
Exact Mass381.16
IUPAC Name1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
SMILESCC.CC(O)CN(CCc1ccc(Cl)cc1)CCc1ccc(Cl)cc1
InChIInChI=1S/C19H23Cl2NO.C2H6/c1-15(23)14-22(12-10-16-2-6-18(20)7-3-16)13-11-17-4-8-19(21)9-5-17;1-2/h2-9,15,23H,10-14H2,1H3;1-2H3
InChIKeyAUKKSSAYVPCBBA-UHFFFAOYSA-N
XLogP5.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.38
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[2-(4-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115121708
2-(4-chlorophenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115258974
N'-[2-(4-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203453
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158336
N-benzyl-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
CID 4651725
1-[2-(4-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 111122688
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 2846001
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
1-[2-(3-amino-4-methylphenyl)ethyl-butylamino]propan-2-ol;hydrochloride
CID 173452548

Frequently Asked Questions

What is the IUPAC name of 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane?
The IUPAC name of 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane (CID 144747733) is 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane.
What is the SMILES notation for 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane?
The canonical SMILES for 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane is CC.CC(O)CN(CCc1ccc(Cl)cc1)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane?
The InChIKey is AUKKSSAYVPCBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO.C2H6/c1-15(23)14-22(12-10-16-2-6-18(20)7-3-16)13-11-17-4-8-19(21)9-5-17;1-2/h2-9,15,23H,10-14H2,1H3;1-2H3.
What are the key properties of 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane?
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane has a molecular weight of 382.38 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane is sourced from PubChem (CID 144747733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).