1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol

C12H18ClNO — CID 106816878

IUPAC1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCc1ccc(CNCC(C)(C)O)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-9-4-5-10(6-11(9)13)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3
InChIKeyLGEJHXFRGYISAG-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.51
Rot. Bonds4

About 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol

1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 106816878) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
PubChem CID106816878
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCc1ccc(CNCC(C)(C)O)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-9-4-5-10(6-11(9)13)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3
InChIKeyLGEJHXFRGYISAG-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 ≤ 500227.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine
CID 114099433
1-[(4-chlorophenyl)methylamino]-2-methylpropan-2-ol
CID 60885282
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
N-[(3-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106815995
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
N-[(3-chloro-4-methylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 106816801
3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170447
1-[(3,5-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 63932078
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106862762

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol (CID 106816878) is 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol is Cc1ccc(CNCC(C)(C)O)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is LGEJHXFRGYISAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9-4-5-10(6-11(9)13)7-14-8-12(2,3)15/h4-6,14-15H,7-8H2,1-3H3.
What are the key properties of 1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol?
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol has a molecular weight of 227.73 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-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106816878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).