N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine

C16H17ClF2N2 — CID 102619227

IUPACN-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1Cl)c1ccncc1F
InChIInChI=1S/C16H17ClF2N2/c1-2-6-21-16(13-5-7-20-10-15(13)19)9-11-8-12(18)3-4-14(11)17/h3-5,7-8,10,16,21H,2,6,9H2,1H3
InChIKeyWJILDHAHHHXADS-UHFFFAOYSA-N
MW310.77 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine

N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 102619227) has the molecular formula C16H17ClF2N2 and a molecular weight of 310.77 g/mol. Its IUPAC name is N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
PubChem CID102619227
Molecular FormulaC16H17ClF2N2
Molecular Weight310.77 g/mol
Exact Mass310.10
IUPAC NameN-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1Cl)c1ccncc1F
InChIInChI=1S/C16H17ClF2N2/c1-2-6-21-16(13-5-7-20-10-15(13)19)9-11-8-12(18)3-4-14(11)17/h3-5,7-8,10,16,21H,2,6,9H2,1H3
InChIKeyWJILDHAHHHXADS-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 106866904
N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 102618617
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
N-[1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]propan-1-amine
CID 102618475
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
N-[2-(2-chloro-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 102618825
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 102618519

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine (CID 102619227) is N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1Cl)c1ccncc1F.
What is the InChIKey of N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is WJILDHAHHHXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2/c1-2-6-21-16(13-5-7-20-10-15(13)19)9-11-8-12(18)3-4-14(11)17/h3-5,7-8,10,16,21H,2,6,9H2,1H3.
What are the key properties of N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine?
N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine has a molecular weight of 310.77 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 102619227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).