N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine

C17H19ClFN — CID 115504675

IUPACN-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C17H19ClFN/c1-3-7-20-12(2)13-5-4-6-14(8-13)15-9-16(18)11-17(19)10-15/h4-6,8-12,20H,3,7H2,1-2H3
InChIKeyWSWOCUKZEWDTPT-UHFFFAOYSA-N
MW291.80 g/mol
LogP5.21
Rot. Bonds5

About N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine

N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine (PubChem CID 115504675) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
PubChem CID115504675
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C17H19ClFN/c1-3-7-20-12(2)13-5-4-6-14(8-13)15-9-16(18)11-17(19)10-15/h4-6,8-12,20H,3,7H2,1-2H3
InChIKeyWSWOCUKZEWDTPT-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-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63424482
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N,N-dipropyl-3-[1-(propylamino)ethyl]aniline
CID 79678790
N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine
CID 79996723
N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
CID 106783952
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine (CID 115504675) is N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-c2cc(F)cc(Cl)c2)c1.
What is the InChIKey of N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is WSWOCUKZEWDTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-7-20-12(2)13-5-4-6-14(8-13)15-9-16(18)11-17(19)10-15/h4-6,8-12,20H,3,7H2,1-2H3.
What are the key properties of N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(3-chloro-5-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-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115504675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).