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

C15H15ClF2N2 — CID 105395357

IUPACN-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1Cl)c1ncccc1F
InChIInChI=1S/C15H15ClF2N2/c1-2-7-19-14(15-13(18)4-3-8-20-15)11-9-10(17)5-6-12(11)16/h3-6,8-9,14,19H,2,7H2,1H3
InChIKeyRLYOLBJUOIFOGD-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.10
Rot. Bonds5

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

N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 105395357) has the molecular formula C15H15ClF2N2 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
PubChem CID105395357
Molecular FormulaC15H15ClF2N2
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1Cl)c1ncccc1F
InChIInChI=1S/C15H15ClF2N2/c1-2-7-19-14(15-13(18)4-3-8-20-15)11-9-10(17)5-6-12(11)16/h3-6,8-9,14,19H,2,7H2,1H3
InChIKeyRLYOLBJUOIFOGD-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(2,3-difluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 107513715
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 103444649
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897
N-[(2-bromo-6-fluorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105395585
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2-chloro-5-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 105395051
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine (CID 105395357) is N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1Cl)c1ncccc1F.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is RLYOLBJUOIFOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2/c1-2-7-19-14(15-13(18)4-3-8-20-15)11-9-10(17)5-6-12(11)16/h3-6,8-9,14,19H,2,7H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine?
N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 296.75 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105395357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).