N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine

C12H18ClN — CID 63195230

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C12H18ClN/c1-9-5-6-10(7-11(9)13)8-14-12(2,3)4/h5-7,14H,8H2,1-4H3
InChIKeyKLJPNNUOGXXHRA-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.54
Rot. Bonds2

About N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine

N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 63195230) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
PubChem CID63195230
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
SMILESCc1ccc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C12H18ClN/c1-9-5-6-10(7-11(9)13)8-14-12(2,3)4/h5-7,14H,8H2,1-4H3
InChIKeyKLJPNNUOGXXHRA-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2,2,3-trimethylbutan-1-amine
CID 114099433
N-[(3-chloro-4-methylphenyl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 106817114
1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
N-[[3-chloro-4-(2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81144981
N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 106816595
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]ethanol
CID 55219524
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
N-[(3-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106815995

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine (CID 63195230) is N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine is Cc1ccc(CNC(C)(C)C)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is KLJPNNUOGXXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9-5-6-10(7-11(9)13)8-14-12(2,3)4/h5-7,14H,8H2,1-4H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 211.74 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63195230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).