1-(4-chloro-2-methylphenyl)ethanamine;ethane

C13H24ClN — CID 143031606

IUPAC1-(4-chloro-2-methylphenyl)ethanamine;ethane
SMILESCC.CC.Cc1cc(Cl)ccc1C(C)N
InChIInChI=1S/C9H12ClN.2C2H6/c1-6-5-8(10)3-4-9(6)7(2)11;2*1-2/h3-5,7H,11H2,1-2H3;2*1-2H3
InChIKeyAXKHVVKVQGCKBC-UHFFFAOYSA-N
MW229.79 g/mol
LogP4.72
Rot. Bonds1

About 1-(4-chloro-2-methylphenyl)ethanamine;ethane

1-(4-chloro-2-methylphenyl)ethanamine;ethane (PubChem CID 143031606) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)ethanamine;ethane.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)ethanamine;ethane
PubChem CID143031606
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name1-(4-chloro-2-methylphenyl)ethanamine;ethane
SMILESCC.CC.Cc1cc(Cl)ccc1C(C)N
InChIInChI=1S/C9H12ClN.2C2H6/c1-6-5-8(10)3-4-9(6)7(2)11;2*1-2/h3-5,7H,11H2,1-2H3;2*1-2H3
InChIKeyAXKHVVKVQGCKBC-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
4-chloro-2-methyl-1-(3-methylbutan-2-yl)benzene
CID 123297627
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
4-[(1R)-1-aminoethyl]-3-methylaniline
CID 55273899
(1S)-1-(4-chloro-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171231441
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)ethanamine;ethane?
The IUPAC name of 1-(4-chloro-2-methylphenyl)ethanamine;ethane (CID 143031606) is 1-(4-chloro-2-methylphenyl)ethanamine;ethane.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)ethanamine;ethane?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)ethanamine;ethane is CC.CC.Cc1cc(Cl)ccc1C(C)N.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)ethanamine;ethane?
The InChIKey is AXKHVVKVQGCKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN.2C2H6/c1-6-5-8(10)3-4-9(6)7(2)11;2*1-2/h3-5,7H,11H2,1-2H3;2*1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)ethanamine;ethane?
1-(4-chloro-2-methylphenyl)ethanamine;ethane has a molecular weight of 229.79 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)ethanamine;ethane is sourced from PubChem (CID 143031606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).