1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol

C12H18ClNO — CID 104854183

IUPAC1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCc1cc(Cl)ccc1CNCC(C)(C)O
InChIInChI=1S/C12H18ClNO/c1-9-6-11(13)5-4-10(9)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3
InChIKeyJJAVXRBGNQZLGL-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.51
Rot. Bonds4

About 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol

1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 104854183) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
PubChem CID104854183
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCc1cc(Cl)ccc1CNCC(C)(C)O
InChIInChI=1S/C12H18ClNO/c1-9-6-11(13)5-4-10(9)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3
InChIKeyJJAVXRBGNQZLGL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106862762
(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99626808
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816
1-[(4-chlorophenyl)methylamino]-2-methylpropan-2-ol
CID 60885282
N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 104854099
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
N-[(4-chloro-2-methylphenyl)methyl]but-2-yn-1-amine
CID 104854390
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
1-[(2-bromo-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 84589778

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol (CID 104854183) is 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol is Cc1cc(Cl)ccc1CNCC(C)(C)O.
What is the InChIKey of 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is JJAVXRBGNQZLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9-6-11(13)5-4-10(9)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3.
What are the key properties of 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol?
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol has a molecular weight of 227.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 104854183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).