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

C17H20ClFN2 — CID 103053112

IUPACN-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1cccnc1C
InChIInChI=1S/C17H20ClFN2/c1-3-8-21-17(15-5-4-9-20-12(15)2)11-13-10-14(18)6-7-16(13)19/h4-7,9-10,17,21H,3,8,11H2,1-2H3
InChIKeyLCTVRAFLHMFZLE-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.47
Rot. Bonds6

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

N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 103053112) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID103053112
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1cccnc1C
InChIInChI=1S/C17H20ClFN2/c1-3-8-21-17(15-5-4-9-20-12(15)2)11-13-10-14(18)6-7-16(13)19/h4-7,9-10,17,21H,3,8,11H2,1-2H3
InChIKeyLCTVRAFLHMFZLE-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048562
N-[2-(3-chloro-4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103043214
N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105181736
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105132112
N-[2-(5-chloro-2-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048671
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105190365
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
CID 103053234
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
[2-(5-bromo-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]hydrazine
CID 105294921
N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103048462
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 103053112) is N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1F)c1cccnc1C.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is LCTVRAFLHMFZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-3-8-21-17(15-5-4-9-20-12(15)2)11-13-10-14(18)6-7-16(13)19/h4-7,9-10,17,21H,3,8,11H2,1-2H3.
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 306.81 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 103053112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).