(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol

C12H18ClNO — CID 124515229

IUPAC(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H](C)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-9(14-8-10(2)15)7-11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyWTMYRZFEAKUNDJ-ZJUUUORDSA-N
MW227.74 g/mol
LogP2.24
Rot. Bonds5

About (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol

(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol (PubChem CID 124515229) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
PubChem CID124515229
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H](C)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c1-9(14-8-10(2)15)7-11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyWTMYRZFEAKUNDJ-ZJUUUORDSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
CID 43677577
1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 103911457
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686
1-[1-(4-bromo-3-fluorophenyl)propan-2-ylamino]propan-2-ol
CID 115704219
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
N-[1-(4-chlorophenyl)propan-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 103910207
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol (CID 124515229) is (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol is C[C@H](O)CN[C@H](C)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol?
The InChIKey is WTMYRZFEAKUNDJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(14-8-10(2)15)7-11-3-5-12(13)6-4-11/h3-6,9-10,14-15H,7-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol?
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol has a molecular weight of 227.74 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 124515229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).