2-(2-chloro-3,5-dimethylphenyl)propan-1-amine

C11H16ClN — CID 84774730

IUPAC2-(2-chloro-3,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(Cl)c(C(C)CN)c1
InChIInChI=1S/C11H16ClN/c1-7-4-8(2)11(12)10(5-7)9(3)6-13/h4-5,9H,6,13H2,1-3H3
InChIKeyMGXPQCBVIFYDLR-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.02
Rot. Bonds2

About 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine

2-(2-chloro-3,5-dimethylphenyl)propan-1-amine (PubChem CID 84774730) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-3,5-dimethylphenyl)propan-1-amine
PubChem CID84774730
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-(2-chloro-3,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(Cl)c(C(C)CN)c1
InChIInChI=1S/C11H16ClN/c1-7-4-8(2)11(12)10(5-7)9(3)6-13/h4-5,9H,6,13H2,1-3H3
InChIKeyMGXPQCBVIFYDLR-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-(2,3,4,5-tetramethylphenyl)propan-1-amine
CID 117282734
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
2-(2-chloro-5-methylfuran-3-yl)propan-1-amine
CID 82653548
2-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277659
3-(2-amino-1-hydroxyethyl)-4-chloro-5-methylphenol
CID 84776533
2-N-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 82505025
3-(3-chloro-2,5-dimethylphenyl)butan-1-amine
CID 84782147
2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
CID 117313656
2-[4-methyl-2,5-bis(methylsulfanyl)phenyl]propan-1-amine
CID 117355953
3-(4,5-dichloro-2-methylphenyl)butan-1-amine
CID 84795234

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine (CID 84774730) is 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine is Cc1cc(C)c(Cl)c(C(C)CN)c1.
What is the InChIKey of 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine?
The InChIKey is MGXPQCBVIFYDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-7-4-8(2)11(12)10(5-7)9(3)6-13/h4-5,9H,6,13H2,1-3H3.
What are the key properties of 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine?
2-(2-chloro-3,5-dimethylphenyl)propan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 84774730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).