1-(3-chloro-5-ethylphenyl)-N-methylmethanamine

C10H14ClN — CID 84659368

IUPAC1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
SMILESCCc1cc(Cl)cc(CNC)c1
InChIInChI=1S/C10H14ClN/c1-3-8-4-9(7-12-2)6-10(11)5-8/h4-6,12H,3,7H2,1-2H3
InChIKeyXORUMDUBJHQCTA-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.62
Rot. Bonds3

About 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine

1-(3-chloro-5-ethylphenyl)-N-methylmethanamine (PubChem CID 84659368) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
PubChem CID84659368
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
SMILESCCc1cc(Cl)cc(CNC)c1
InChIInChI=1S/C10H14ClN/c1-3-8-4-9(7-12-2)6-10(11)5-8/h4-6,12H,3,7H2,1-2H3
InChIKeyXORUMDUBJHQCTA-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine (CID 84659368) is 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine is CCc1cc(Cl)cc(CNC)c1.
What is the InChIKey of 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine?
The InChIKey is XORUMDUBJHQCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-8-4-9(7-12-2)6-10(11)5-8/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine?
1-(3-chloro-5-ethylphenyl)-N-methylmethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 84659368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).