(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol

C12H18ClNO — CID 111487359

IUPAC(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
SMILESCC[C@@H](O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-3-12(15)9-14(2)8-10-5-4-6-11(13)7-10/h4-7,12,15H,3,8-9H2,1-2H3/t12-/m1/s1
InChIKeyLIPJYIJJQKVLCF-GFCCVEGCSA-N
MW227.74 g/mol
LogP2.54
Rot. Bonds5

About (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol

(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol (PubChem CID 111487359) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
PubChem CID111487359
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol
SMILESCC[C@@H](O)CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-3-12(15)9-14(2)8-10-5-4-6-11(13)7-10/h4-7,12,15H,3,8-9H2,1-2H3/t12-/m1/s1
InChIKeyLIPJYIJJQKVLCF-GFCCVEGCSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-chlorophenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 82776807
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 61416986
1-N-[(3-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61417455
N'-[(3-chlorophenyl)methyl]-N'-methyl-2-propylpropane-1,3-diamine
CID 65232580
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976
2-bromo-N-[(3-chlorophenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80690565
3-[(3-chlorophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 61417021
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol?
The IUPAC name of (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol (CID 111487359) is (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol?
The canonical SMILES for (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol is CC[C@@H](O)CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol?
The InChIKey is LIPJYIJJQKVLCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-12(15)9-14(2)8-10-5-4-6-11(13)7-10/h4-7,12,15H,3,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol?
(2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol has a molecular weight of 227.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-chlorophenyl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 111487359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).