2-chloro-1-(2,4,5-trimethylphenyl)ethanamine

C11H16ClN — CID 116937565

IUPAC2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CCl)cc1C
InChIInChI=1S/C11H16ClN/c1-7-4-9(3)10(5-8(7)2)11(13)6-12/h4-5,11H,6,13H2,1-3H3
InChIKeyFEHWFAWHAQKWEE-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine

2-chloro-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 116937565) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID116937565
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CCl)cc1C
InChIInChI=1S/C11H16ClN/c1-7-4-9(3)10(5-8(7)2)11(13)6-12/h4-5,11H,6,13H2,1-3H3
InChIKeyFEHWFAWHAQKWEE-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanamine
CID 116937590
(2,4,5-trimethylphenyl)methanediamine
CID 66789754
(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine
CID 82758328
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64989653
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine (CID 116937565) is 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CCl)cc1C.
What is the InChIKey of 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is FEHWFAWHAQKWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-7-4-9(3)10(5-8(7)2)11(13)6-12/h4-5,11H,6,13H2,1-3H3.
What are the key properties of 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine?
2-chloro-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 197.71 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 116937565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).