2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol

C12H17Cl2NO — CID 61056180

IUPAC2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-6-15-12(2,8-16)9-4-5-10(13)11(14)7-9/h4-5,7,15-16H,3,6,8H2,1-2H3
InChIKeyAZEYIOVGABWNFM-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.20
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol

2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol (PubChem CID 61056180) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol
PubChem CID61056180
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-6-15-12(2,8-16)9-4-5-10(13)11(14)7-9/h4-5,7,15-16H,3,6,8H2,1-2H3
InChIKeyAZEYIOVGABWNFM-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenyl)propan-2-yl]dodecan-1-amine;hydrochloride
CID 173462938
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 83108459
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216577
2-(2-methylphenyl)-2-(propylamino)propan-1-ol
CID 61055182
2-[2-[2-(3,4-dichlorophenyl)-2-methylpropyl]hydrazinyl]ethanol
CID 67636356
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol
CID 61053956
N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
CID 63510234
2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 61054133
3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 79830214
(5S)-5-(3,4-dichlorophenyl)hexane-1,2,3,5-tetrol
CID 155706322

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol (CID 61056180) is 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol is CCCNC(C)(CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol?
The InChIKey is AZEYIOVGABWNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-6-15-12(2,8-16)9-4-5-10(13)11(14)7-9/h4-5,7,15-16H,3,6,8H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol?
2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 61056180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).