N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine

C17H18ClF2N — CID 82771991

IUPACN-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C17H18ClF2N/c1-3-6-21-11(2)16-5-4-12(9-17(16)18)13-7-14(19)10-15(20)8-13/h4-5,7-11,21H,3,6H2,1-2H3
InChIKeyHJMVUXDCGZQOQT-UHFFFAOYSA-N
MW309.79 g/mol
LogP5.35
Rot. Bonds5

About N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine

N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine (PubChem CID 82771991) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
PubChem CID82771991
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC NameN-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C17H18ClF2N/c1-3-6-21-11(2)16-5-4-12(9-17(16)18)13-7-14(19)10-15(20)8-13/h4-5,7-11,21H,3,6H2,1-2H3
InChIKeyHJMVUXDCGZQOQT-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.79
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
N-[1-[2-chloro-4-(2,3-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772141
3-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]-5-fluorobenzonitrile
CID 82772148
N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine
CID 106646413
N-[1-[2-chloro-4-(2-methylthiophen-3-yl)phenyl]ethyl]propan-1-amine
CID 102834411
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994
N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504675
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 82772140
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine (CID 82771991) is N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is HJMVUXDCGZQOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-3-6-21-11(2)16-5-4-12(9-17(16)18)13-7-14(19)10-15(20)8-13/h4-5,7-11,21H,3,6H2,1-2H3.
What are the key properties of N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine?
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 309.79 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 82771991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).