2-chloro-1-(2,5-dimethylphenyl)ethanamine

C10H14ClN — CID 116937497

IUPAC2-chloro-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)CCl)c1
InChIInChI=1S/C10H14ClN/c1-7-3-4-8(2)9(5-7)10(12)6-11/h3-5,10H,6,12H2,1-2H3
InChIKeyRJIUXVRQYUXKQG-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-1-(2,5-dimethylphenyl)ethanamine

2-chloro-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 116937497) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-1-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-chloro-1-(2,5-dimethylphenyl)ethanamine
PubChem CID116937497
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(N)CCl)c1
InChIInChI=1S/C10H14ClN/c1-7-3-4-8(2)9(5-7)10(12)6-11/h3-5,10H,6,12H2,1-2H3
InChIKeyRJIUXVRQYUXKQG-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.54
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

1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
2-chloro-1-(2,4,5-trimethylphenyl)ethanamine
CID 116937565
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
2-chloro-1-(2,5-dimethylphenyl)-N,N-dimethylethanamine
CID 116907390
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399
1-(2,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43198585
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
2-(2,6-dimethylphenoxy)-1-(2,5-dimethylphenyl)ethanamine
CID 43093894

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-chloro-1-(2,5-dimethylphenyl)ethanamine (CID 116937497) is 2-chloro-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-chloro-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-chloro-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(N)CCl)c1.
What is the InChIKey of 2-chloro-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is RJIUXVRQYUXKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-7-3-4-8(2)9(5-7)10(12)6-11/h3-5,10H,6,12H2,1-2H3.
What are the key properties of 2-chloro-1-(2,5-dimethylphenyl)ethanamine?
2-chloro-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 116937497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).