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

C14H22ClN — CID 115216039

IUPACN-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(C)(C)CNCCCCl
InChIInChI=1S/C14H22ClN/c1-12-7-4-5-8-13(12)14(2,3)11-16-10-6-9-15/h4-5,7-8,16H,6,9-11H2,1-3H3
InChIKeyCCQAMWSGZXLIRX-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.49
Rot. Bonds6

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

N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine (PubChem CID 115216039) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
PubChem CID115216039
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(C)(C)CNCCCCl
InChIInChI=1S/C14H22ClN/c1-12-7-4-5-8-13(12)14(2,3)11-16-10-6-9-15/h4-5,7-8,16H,6,9-11H2,1-3H3
InChIKeyCCQAMWSGZXLIRX-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

N-(bromomethyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115262622
N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206673
N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115216004
N'-cyclopropyl-N-[2-methyl-2-(2-methylphenyl)propyl]ethane-1,2-diamine
CID 115207185
2-methyl-2-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62596032
N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
CID 115215348
2-(2-bromophenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263726
3-[[2-methyl-2-(2-methylphenyl)propyl]amino]propane-1,2-diol
CID 115122512
N-[2-methyl-2-(2-methylphenyl)propyl]cyclopropanamine
CID 62595487
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
N'-[2-(2-methoxyphenyl)-2-methylpropyl]-N-methylpropane-1,3-diamine
CID 115198203
1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
CID 115133071

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine (CID 115216039) is N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(C)(C)CNCCCCl.
What is the InChIKey of N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine?
The InChIKey is CCQAMWSGZXLIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-12-7-4-5-8-13(12)14(2,3)11-16-10-6-9-15/h4-5,7-8,16H,6,9-11H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine?
N-(3-chloropropyl)-2-methyl-2-(2-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-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 115216039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).