N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine

C15H24ClN — CID 115215348

IUPACN-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
SMILESCc1ccc(C(C)(C)CNCCCl)c(C)c1C
InChIInChI=1S/C15H24ClN/c1-11-6-7-14(13(3)12(11)2)15(4,5)10-17-9-8-16/h6-7,17H,8-10H2,1-5H3
InChIKeyUSUUODZALCVRBH-UHFFFAOYSA-N
MW253.82 g/mol
LogP3.72
Rot. Bonds5

About N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine

N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine (PubChem CID 115215348) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
PubChem CID115215348
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
SMILESCc1ccc(C(C)(C)CNCCCl)c(C)c1C
InChIInChI=1S/C15H24ClN/c1-11-6-7-14(13(3)12(11)2)15(4,5)10-17-9-8-16/h6-7,17H,8-10H2,1-5H3
InChIKeyUSUUODZALCVRBH-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 53.72
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

[[2-methyl-2-(2,3,4-trimethylphenyl)propyl]amino]methanethiol
CID 115228629
3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine
CID 115120224
N-(3-chloropropyl)-2-methyl-2-(2-methylphenyl)propan-1-amine
CID 115216039
3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine
CID 116962225
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
N-(2-chloroethyl)-2-methyl-2-(3-methylthiophen-2-yl)propan-1-amine
CID 115215359
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115215303
2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide
CID 116829580
2-(5-bromo-2-methylphenyl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263701
2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
CID 115215289
N-(bromomethyl)-2-(2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262506

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine?
The IUPAC name of N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine (CID 115215348) is N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine is Cc1ccc(C(C)(C)CNCCCl)c(C)c1C.
What is the InChIKey of N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine?
The InChIKey is USUUODZALCVRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-11-6-7-14(13(3)12(11)2)15(4,5)10-17-9-8-16/h6-7,17H,8-10H2,1-5H3.
What are the key properties of N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine?
N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 115215348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).