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

C13H20ClN — CID 104854099

IUPACN-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc(Cl)cc1C
InChIInChI=1S/C13H20ClN/c1-5-13(3,4)15-9-11-6-7-12(14)8-10(11)2/h6-8,15H,5,9H2,1-4H3
InChIKeyRNRCEZNUSROKDY-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.93
Rot. Bonds4

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

N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine (PubChem CID 104854099) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
PubChem CID104854099
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccc(Cl)cc1C
InChIInChI=1S/C13H20ClN/c1-5-13(3,4)15-9-11-6-7-12(14)8-10(11)2/h6-8,15H,5,9H2,1-4H3
InChIKeyRNRCEZNUSROKDY-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
CID 17210867
N-[(3-bromo-2,4-dimethylphenyl)methyl]-2-methylbutan-2-amine
CID 165439045
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
CID 114075337
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 114349198

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine (CID 104854099) is N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1ccc(Cl)cc1C.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine?
The InChIKey is RNRCEZNUSROKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-5-13(3,4)15-9-11-6-7-12(14)8-10(11)2/h6-8,15H,5,9H2,1-4H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine?
N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine has a molecular weight of 225.76 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 104854099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).