1-(4-chloro-3-methylphenyl)propan-2-amine;ethane

C12H20ClN — CID 143509041

IUPAC1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
SMILESCC.Cc1cc(CC(C)N)ccc1Cl
InChIInChI=1S/C10H14ClN.C2H6/c1-7-5-9(6-8(2)12)3-4-10(7)11;1-2/h3-5,8H,6,12H2,1-2H3;1-2H3
InChIKeyCSARCQDEPLNKIQ-UHFFFAOYSA-N
MW213.75 g/mol
LogP3.56
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane

1-(4-chloro-3-methylphenyl)propan-2-amine;ethane (PubChem CID 143509041) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
PubChem CID143509041
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
SMILESCC.Cc1cc(CC(C)N)ccc1Cl
InChIInChI=1S/C10H14ClN.C2H6/c1-7-5-9(6-8(2)12)3-4-10(7)11;1-2/h3-5,8H,6,12H2,1-2H3;1-2H3
InChIKeyCSARCQDEPLNKIQ-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Chlorphentermine Hydrochloride
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Chlorphentermine
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p-Chloroamphetamine
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2,4-Dichlorophenethylamine
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Didesmethylsibutramine hydrochloride
CID 134771
2-(2-Chlorophenyl)ethylamine
CID 83117
3-Chlorophenethylamine
CID 139381
2,6-Dichlorophenethylamine
CID 2734101
2-(4-Chlorophenyl)ethylamine
CID 67430
Clortermine Hydrochloride
CID 66361

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane?
The IUPAC name of 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane (CID 143509041) is 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane is CC.Cc1cc(CC(C)N)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane?
The InChIKey is CSARCQDEPLNKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN.C2H6/c1-7-5-9(6-8(2)12)3-4-10(7)11;1-2/h3-5,8H,6,12H2,1-2H3;1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane?
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane has a molecular weight of 213.75 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)propan-2-amine;ethane is sourced from PubChem (CID 143509041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).