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

C14H22ClN — CID 106863177

IUPACN-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClN/c1-5-8-14(3,4)16-10-12-7-6-11(2)9-13(12)15/h6-7,9,16H,5,8,10H2,1-4H3
InChIKeyYMVGYZPAQHFDDC-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.32
Rot. Bonds5

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

N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine (PubChem CID 106863177) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine
PubChem CID106863177
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(C)cc1Cl
InChIInChI=1S/C14H22ClN/c1-5-8-14(3,4)16-10-12-7-6-11(2)9-13(12)15/h6-7,9,16H,5,8,10H2,1-4H3
InChIKeyYMVGYZPAQHFDDC-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(bromomethyl)-2-methylpentyl]-2-chloro-4-methylbenzene
CID 106870681
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106862762
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763
1-(2-chloro-4-methylphenyl)-N-ethoxymethanamine
CID 106862753
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 106869881
2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
1-(2-chloro-4-methylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 106862733
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106869920

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine (CID 106863177) is N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine is CCCC(C)(C)NCc1ccc(C)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine?
The InChIKey is YMVGYZPAQHFDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-8-14(3,4)16-10-12-7-6-11(2)9-13(12)15/h6-7,9,16H,5,8,10H2,1-4H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine?
N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-2-methylpentan-2-amine is sourced from PubChem (CID 106863177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).