N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine

C14H22ClN — CID 115216004

IUPACN-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(C)(C)CNCCCCl)cc1
InChIInChI=1S/C14H22ClN/c1-12-5-7-13(8-6-12)14(2,3)11-16-10-4-9-15/h5-8,16H,4,9-11H2,1-3H3
InChIKeyRZSSAYQMWOZXME-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.49
Rot. Bonds6

About N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine

N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 115216004) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine
PubChem CID115216004
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(C)(C)CNCCCCl)cc1
InChIInChI=1S/C14H22ClN/c1-12-5-7-13(8-6-12)14(2,3)11-16-10-4-9-15/h5-8,16H,4,9-11H2,1-3H3
InChIKeyRZSSAYQMWOZXME-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanenitrile
CID 115232104
4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115218819
3-methyl-1-N-[2-methyl-2-(4-methylphenyl)propyl]butane-1,3-diamine
CID 115200921
N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115216039
N-(2-chloroethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115215295
N-(chloromethyl)-2-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115263613
N-tert-butyl-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 62595544
3-chloro-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 115215788
2-methyl-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115220963
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
CID 115198160
N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115215303
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196146

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine (CID 115216004) is N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine is Cc1ccc(C(C)(C)CNCCCCl)cc1.
What is the InChIKey of N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is RZSSAYQMWOZXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-12-5-7-13(8-6-12)14(2,3)11-16-10-4-9-15/h5-8,16H,4,9-11H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine?
N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 115216004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).