2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol

C12H17Cl2NO — CID 43503458

IUPAC2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
SMILESCCC(NC(C)CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-12(15-8(2)7-16)10-5-4-9(13)6-11(10)14/h4-6,8,12,15-16H,3,7H2,1-2H3
InChIKeyYDWFXPZDHTUXCA-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.41
Rot. Bonds5

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

2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol (PubChem CID 43503458) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
PubChem CID43503458
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
SMILESCCC(NC(C)CO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-12(15-8(2)7-16)10-5-4-9(13)6-11(10)14/h4-6,8,12,15-16H,3,7H2,1-2H3
InChIKeyYDWFXPZDHTUXCA-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
CID 43503451
3-[1-(2,4-dichlorophenyl)propylamino]butanamide
CID 113342534
methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
CID 60780834
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
CID 99636952
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol (CID 43503458) is 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol is CCC(NC(C)CO)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol?
The InChIKey is YDWFXPZDHTUXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-12(15-8(2)7-16)10-5-4-9(13)6-11(10)14/h4-6,8,12,15-16H,3,7H2,1-2H3.
What are the key properties of 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol?
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol is sourced from PubChem (CID 43503458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).