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

C10H13ClFN — CID 84776584

IUPAC3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
SMILESCc1c(CCCN)ccc(Cl)c1F
InChIInChI=1S/C10H13ClFN/c1-7-8(3-2-6-13)4-5-9(11)10(7)12/h4-5H,2-3,6,13H2,1H3
InChIKeySDKUJINOXVZLFJ-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.68
Rot. Bonds3

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

3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine (PubChem CID 84776584) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
PubChem CID84776584
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
SMILESCc1c(CCCN)ccc(Cl)c1F
InChIInChI=1S/C10H13ClFN/c1-7-8(3-2-6-13)4-5-9(11)10(7)12/h4-5H,2-3,6,13H2,1H3
InChIKeySDKUJINOXVZLFJ-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
CID 117335626
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
ethyl 2-(4-chloro-3-fluoro-2-methylphenyl)acetate
CID 171030020
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
3-(3-aminopropyl)-4-chloro-2-fluorophenol
CID 84777605
3-(6-chloro-7-methyl-1H-indol-3-yl)propan-1-amine
CID 3925639
3-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 84778847
1-(2-chloroethyl)-3,4-difluoro-2-methylbenzene
CID 130139628

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine (CID 84776584) is 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine is Cc1c(CCCN)ccc(Cl)c1F.
What is the InChIKey of 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine?
The InChIKey is SDKUJINOXVZLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-7-8(3-2-6-13)4-5-9(11)10(7)12/h4-5H,2-3,6,13H2,1H3.
What are the key properties of 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine?
3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine has a molecular weight of 201.67 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 84776584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).