2-(2-chloro-4-fluorophenyl)propan-1-amine

C9H11ClFN — CID 66438470

IUPAC2-(2-chloro-4-fluorophenyl)propan-1-amine
SMILESCC(CN)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFN/c1-6(5-12)8-3-2-7(11)4-9(8)10/h2-4,6H,5,12H2,1H3
InChIKeyNFRITKYKYWXCOO-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.54
Rot. Bonds2

About 2-(2-chloro-4-fluorophenyl)propan-1-amine

2-(2-chloro-4-fluorophenyl)propan-1-amine (PubChem CID 66438470) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)propan-1-amine
PubChem CID66438470
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name2-(2-chloro-4-fluorophenyl)propan-1-amine
SMILESCC(CN)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFN/c1-6(5-12)8-3-2-7(11)4-9(8)10/h2-4,6H,5,12H2,1H3
InChIKeyNFRITKYKYWXCOO-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
CID 117313656
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
2-(4-butan-2-yl-3-chlorophenyl)propan-1-amine
CID 117324646
2-(2-chloro-4-fluorophenyl)propanamide
CID 155026296
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
CID 83895005
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
[1-(2-chloro-4-fluorophenyl)-4-methylpentyl]hydrazine
CID 105215256
3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 83690027
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)propan-1-amine (CID 66438470) is 2-(2-chloro-4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)propan-1-amine is CC(CN)c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)propan-1-amine?
The InChIKey is NFRITKYKYWXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6(5-12)8-3-2-7(11)4-9(8)10/h2-4,6H,5,12H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)propan-1-amine?
2-(2-chloro-4-fluorophenyl)propan-1-amine has a molecular weight of 187.65 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 66438470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).