(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol

C12H17Cl2NO — CID 103922444

IUPAC(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-10(7-16)15-8(2)11-6-9(13)4-5-12(11)14/h4-6,8,10,15-16H,3,7H2,1-2H3/t8?,10-/m1/s1
InChIKeyFKMNDOKYZWLMRY-LHIURRSHSA-N
MW262.18 g/mol
LogP3.41
Rot. Bonds5

About (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol

(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol (PubChem CID 103922444) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
PubChem CID103922444
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol
SMILESCC[C@H](CO)NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-3-10(7-16)15-8(2)11-6-9(13)4-5-12(11)14/h4-6,8,10,15-16H,3,7H2,1-2H3/t8?,10-/m1/s1
InChIKeyFKMNDOKYZWLMRY-LHIURRSHSA-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-chloro-4-fluorophenyl)ethylamino]butan-1-ol
CID 43771126
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
N-[1-(2,3,4-trichlorophenyl)ethyl]pentan-3-amine
CID 43756565
5-fluoro-2-[1-(1-hydroxybutan-2-ylamino)ethyl]phenol
CID 63064953
4-fluoro-2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]phenol
CID 104980959
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol?
The IUPAC name of (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol (CID 103922444) is (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol is CC[C@H](CO)NC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol?
The InChIKey is FKMNDOKYZWLMRY-LHIURRSHSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-10(7-16)15-8(2)11-6-9(13)4-5-12(11)14/h4-6,8,10,15-16H,3,7H2,1-2H3/t8?,10-/m1/s1.
What are the key properties of (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol?
(2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-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 (2R)-2-[1-(2,5-dichlorophenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 103922444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).