N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine

C14H22ClN — CID 115263477

IUPACN-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(CCN(C)CCl)cc1
InChIInChI=1S/C14H22ClN/c1-12(2)10-14-6-4-13(5-7-14)8-9-16(3)11-15/h4-7,12H,8-11H2,1-3H3
InChIKeyKOFJVMVUQQZTKM-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.56
Rot. Bonds6

About N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine

N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 115263477) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID115263477
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(CCN(C)CCl)cc1
InChIInChI=1S/C14H22ClN/c1-12(2)10-14-6-4-13(5-7-14)8-9-16(3)11-15/h4-7,12H,8-11H2,1-3H3
InChIKeyKOFJVMVUQQZTKM-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]methanethiol
CID 115228378
N-(chloromethyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115263462
N-methyl-N-[2-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 115191266
N-(chloromethyl)-2-(4-methoxy-3-propan-2-ylphenyl)-N-methylethanamine
CID 115263486
2-[methyl-[2-[4-(2-methylpropyl)phenyl]ethyl]amino]propanenitrile
CID 115130496
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
N-(chloromethyl)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115263460
N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine
CID 155582548
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015
3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 116907540

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine (CID 115263477) is N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(CCN(C)CCl)cc1.
What is the InChIKey of N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is KOFJVMVUQQZTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-12(2)10-14-6-4-13(5-7-14)8-9-16(3)11-15/h4-7,12H,8-11H2,1-3H3.
What are the key properties of N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine?
N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 239.79 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-methyl-2-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 115263477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).