N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine

C15H24ClNO — CID 115215197

IUPACN-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine
SMILESCOc1c(C)cc(CCN(C)CCCl)c(C)c1C
InChIInChI=1S/C15H24ClNO/c1-11-10-14(6-8-17(4)9-7-16)12(2)13(3)15(11)18-5/h10H,6-9H2,1-5H3
InChIKeyWKQTVLLBDYTJCZ-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.33
Rot. Bonds6

About N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine

N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine (PubChem CID 115215197) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine
PubChem CID115215197
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine
SMILESCOc1c(C)cc(CCN(C)CCCl)c(C)c1C
InChIInChI=1S/C15H24ClNO/c1-11-10-14(6-8-17(4)9-7-16)12(2)13(3)15(11)18-5/h10H,6-9H2,1-5H3
InChIKeyWKQTVLLBDYTJCZ-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylamino]acetamide
CID 115260246
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
CID 115171275
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
4-[(4-methoxy-2,3,5-trimethylphenyl)methyl-methylamino]butan-2-one
CID 115235813
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259034
3-chloro-N-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propan-1-amine
CID 115215983

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine?
The IUPAC name of N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine (CID 115215197) is N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine?
The canonical SMILES for N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine is COc1c(C)cc(CCN(C)CCCl)c(C)c1C.
What is the InChIKey of N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine?
The InChIKey is WKQTVLLBDYTJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11-10-14(6-8-17(4)9-7-16)12(2)13(3)15(11)18-5/h10H,6-9H2,1-5H3.
What are the key properties of N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine?
N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine has a molecular weight of 269.82 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 115215197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).