N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine

C17H19ClFN — CID 115504412

IUPACN-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-3-10-20-12(2)14-6-4-5-7-15(14)13-8-9-17(19)16(18)11-13/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyGGOGIIWZWKDEKA-UHFFFAOYSA-N
MW291.80 g/mol
LogP5.21
Rot. Bonds5

About N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine

N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine (PubChem CID 115504412) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
PubChem CID115504412
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-3-10-20-12(2)14-6-4-5-7-15(14)13-8-9-17(19)16(18)11-13/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyGGOGIIWZWKDEKA-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.80
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[2-(2-chloro-4,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 107476928
N-[1-[2-(4-propan-2-ylphenyl)phenyl]ethyl]propan-1-amine
CID 63424587
N-[1-[2-chloro-4-(2,3-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772141
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
N-[1-[2-(2-fluoro-5-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63423907
N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine
CID 106646413
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994
N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
CID 116545311
N-[1-[2-(1,3-dihydro-2-benzofuran-5-yl)phenyl]ethyl]propan-1-amine
CID 63020950
N-[1-[2-(3-fluoro-2-methylphenyl)phenyl]ethyl]propan-1-amine
CID 115502854
N-[1-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 82879484

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine (CID 115504412) is N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is GGOGIIWZWKDEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-10-20-12(2)14-6-4-5-7-15(14)13-8-9-17(19)16(18)11-13/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115504412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).