2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine

C10H12ClF2N — CID 117313656

IUPAC2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C10H12ClF2N/c1-6(5-14)8-3-2-7(10(12)13)4-9(8)11/h2-4,6,10H,5,14H2,1H3
InChIKeyOZYROEYHFLGBJK-UHFFFAOYSA-N
MW219.66 g/mol
LogP3.34
Rot. Bonds3

About 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine

2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine (PubChem CID 117313656) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
PubChem CID117313656
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
SMILESCC(CN)c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C10H12ClF2N/c1-6(5-14)8-3-2-7(10(12)13)4-9(8)11/h2-4,6,10H,5,14H2,1H3
InChIKeyOZYROEYHFLGBJK-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butan-2-yl-3-chlorophenyl)propan-1-amine
CID 117324646
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
3-[2-chloro-4-(1-fluoroethyl)phenyl]butanal
CID 117329604
1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699082
3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 130604698
4-amino-4-[2-chloro-4-(difluoromethyl)phenyl]butanoic acid
CID 117413959
5-(1-aminopropan-2-yl)-2-chloroaniline
CID 84659886
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene
CID 155383409

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine (CID 117313656) is 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine is CC(CN)c1ccc(C(F)F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine?
The InChIKey is OZYROEYHFLGBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-6(5-14)8-3-2-7(10(12)13)4-9(8)11/h2-4,6,10H,5,14H2,1H3.
What are the key properties of 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine?
2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine has a molecular weight of 219.66 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 117313656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).