(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol

C11H15Cl2NO — CID 93082510

IUPAC(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-7(6-15)14-8(2)9-3-4-10(12)11(13)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyAYHGKJCDKDDOFF-SFYZADRCSA-N
MW248.15 g/mol
LogP3.02
Rot. Bonds4

About (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol

(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol (PubChem CID 93082510) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
PubChem CID93082510
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
SMILESC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO/c1-7(6-15)14-8(2)9-3-4-10(12)11(13)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1
InChIKeyAYHGKJCDKDDOFF-SFYZADRCSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(3-chloro-4-fluorophenyl)ethylamino]propan-1-ol
CID 114987014
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylbutan-1-ol
CID 115722751
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
N-[1-(3,4-dichlorophenyl)ethyl]-5-methylhexan-2-amine
CID 43108567
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
3-[1-(3,4-dichlorophenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785111
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 43147148
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol (CID 93082510) is (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol is C[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol?
The InChIKey is AYHGKJCDKDDOFF-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7(6-15)14-8(2)9-3-4-10(12)11(13)5-9/h3-5,7-8,14-15H,6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol?
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol has a molecular weight of 248.15 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 93082510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).