1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride

C10H14Cl2FNO — CID 170894016

IUPAC1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
SMILESCOc1cc(F)c(CC(C)N)cc1Cl.Cl
InChIInChI=1S/C10H13ClFNO.ClH/c1-6(13)3-7-4-8(11)10(14-2)5-9(7)12;/h4-6H,3,13H2,1-2H3;1H
InChIKeyBREPBYFIKZFPTI-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.80
Rot. Bonds3

About 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride

1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride (PubChem CID 170894016) has the molecular formula C10H14Cl2FNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
PubChem CID170894016
Molecular FormulaC10H14Cl2FNO
Molecular Weight254.13 g/mol
Exact Mass253.04
IUPAC Name1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
SMILESCOc1cc(F)c(CC(C)N)cc1Cl.Cl
InChIInChI=1S/C10H13ClFNO.ClH/c1-6(13)3-7-4-8(11)10(14-2)5-9(7)12;/h4-6H,3,13H2,1-2H3;1H
InChIKeyBREPBYFIKZFPTI-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117331427
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
CID 3041172
1-(4-chloro-2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 66517708
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117324016

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride (CID 170894016) is 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride is COc1cc(F)c(CC(C)N)cc1Cl.Cl.
What is the InChIKey of 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is BREPBYFIKZFPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO.ClH/c1-6(13)3-7-4-8(11)10(14-2)5-9(7)12;/h4-6H,3,13H2,1-2H3;1H.
What are the key properties of 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride?
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 254.13 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170894016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).