3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine

C10H13ClFNO — CID 83887887

IUPAC3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(Cl)cc(F)cc1CCCN
InChIInChI=1S/C10H13ClFNO/c1-14-10-7(3-2-4-13)5-8(12)6-9(10)11/h5-6H,2-4,13H2,1H3
InChIKeyYZKFDWNFNHCNFR-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.38
Rot. Bonds4

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

3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 83887887) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID83887887
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(Cl)cc(F)cc1CCCN
InChIInChI=1S/C10H13ClFNO/c1-14-10-7(3-2-4-13)5-8(12)6-9(10)11/h5-6H,2-4,13H2,1H3
InChIKeyYZKFDWNFNHCNFR-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117422606
3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
CID 117335626
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
3-(2-ethoxy-3,5-difluorophenyl)propan-1-amine
CID 83886567
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine (CID 83887887) is 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine is COc1c(Cl)cc(F)cc1CCCN.
What is the InChIKey of 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is YZKFDWNFNHCNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-14-10-7(3-2-4-13)5-8(12)6-9(10)11/h5-6H,2-4,13H2,1H3.
What are the key properties of 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine?
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 217.67 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83887887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).