2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol

C12H18ClNO — CID 82040356

IUPAC2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol
SMILESCNCC(O)(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C12H18ClNO/c1-9(2)12(15,8-14-3)10-4-6-11(13)7-5-10/h4-7,9,14-15H,8H2,1-3H3
InChIKeyLYLJIDSIGUFBQB-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol

2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol (PubChem CID 82040356) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol
PubChem CID82040356
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol
SMILESCNCC(O)(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C12H18ClNO/c1-9(2)12(15,8-14-3)10-4-6-11(13)7-5-10/h4-7,9,14-15H,8H2,1-3H3
InChIKeyLYLJIDSIGUFBQB-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2,6,6-trimethylheptan-3-ol
CID 155261588
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
3-(4-chlorophenyl)-3-hydroxy-2-propan-2-ylpentanoic acid
CID 62397630
2-[[(2R)-butan-2-yl]amino]-1,1-bis(4-chlorophenyl)ethanol
CID 1487207
1-[2-(4-chlorophenyl)-2-methylpropyl]-3-propan-2-ylurea
CID 47307554
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119297367
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol (CID 82040356) is 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol is CNCC(O)(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol?
The InChIKey is LYLJIDSIGUFBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(2)12(15,8-14-3)10-4-6-11(13)7-5-10/h4-7,9,14-15H,8H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol?
2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol has a molecular weight of 227.74 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-1-(methylamino)butan-2-ol is sourced from PubChem (CID 82040356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).