2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine

C10H13ClFN — CID 117290497

IUPAC2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine
SMILESCc1cc(C(C)(C)N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN/c1-6-4-7(10(2,3)13)5-8(11)9(6)12/h4-5H,13H2,1-3H3
InChIKeyVUPZSUJXLNPFCA-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.98
Rot. Bonds1

About 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine

2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine (PubChem CID 117290497) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine
PubChem CID117290497
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine
SMILESCc1cc(C(C)(C)N)cc(Cl)c1F
InChIInChI=1S/C10H13ClFN/c1-6-4-7(10(2,3)13)5-8(11)9(6)12/h4-5H,13H2,1-3H3
InChIKeyVUPZSUJXLNPFCA-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290502
2-(3,4,5-trifluorophenyl)propan-2-amine;hydrochloride
CID 154857245
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974
4-(2-aminopropan-2-yl)-2,6-dimethylphenol
CID 23620728
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
2-(3-bromo-4-chloro-5-fluorophenyl)propan-2-amine
CID 117420420
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
CID 117287323
2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372512
2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
CID 117343901
2-amino-1-(3-chloro-4-fluoro-5-methylphenyl)ethanol
CID 84671959

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine (CID 117290497) is 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine is Cc1cc(C(C)(C)N)cc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine?
The InChIKey is VUPZSUJXLNPFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-6-4-7(10(2,3)13)5-8(11)9(6)12/h4-5H,13H2,1-3H3.
What are the key properties of 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine?
2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine is sourced from PubChem (CID 117290497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).