1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine

C10H13ClFN — CID 117290522

IUPAC1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
SMILESCc1c(F)cc(CC(C)N)cc1Cl
InChIInChI=1S/C10H13ClFN/c1-6(13)3-8-4-9(11)7(2)10(12)5-8/h4-6H,3,13H2,1-2H3
InChIKeySUZIDUPMWQZHRU-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.68
Rot. Bonds2

About 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine

1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine (PubChem CID 117290522) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
PubChem CID117290522
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
SMILESCc1c(F)cc(CC(C)N)cc1Cl
InChIInChI=1S/C10H13ClFN/c1-6(13)3-8-4-9(11)7(2)10(12)5-8/h4-6H,3,13H2,1-2H3
InChIKeySUZIDUPMWQZHRU-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-chloro-3-fluoro-5-(fluoromethyl)-2-methylbenzene
CID 131073233
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
CID 117288723
1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817670
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]propan-2-amine
CID 81160439
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-(8-fluoro-2-methylquinolin-6-yl)propan-2-amine
CID 82577470

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine (CID 117290522) is 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine is Cc1c(F)cc(CC(C)N)cc1Cl.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine?
The InChIKey is SUZIDUPMWQZHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-6(13)3-8-4-9(11)7(2)10(12)5-8/h4-6H,3,13H2,1-2H3.
What are the key properties of 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine?
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine has a molecular weight of 201.67 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine is sourced from PubChem (CID 117290522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).