N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine

C17H20F2N2 — CID 82733064

IUPACN-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)c1ncccc1CC
InChIInChI=1S/C17H20F2N2/c1-3-10-20-17(13-8-5-9-14(18)15(13)19)16-12(4-2)7-6-11-21-16/h5-9,11,17,20H,3-4,10H2,1-2H3
InChIKeyVSGIRXXPRVIWNY-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.01
Rot. Bonds6

About N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine

N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 82733064) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID82733064
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)c1ncccc1CC
InChIInChI=1S/C17H20F2N2/c1-3-10-20-17(13-8-5-9-14(18)15(13)19)16-12(4-2)7-6-11-21-16/h5-9,11,17,20H,3-4,10H2,1-2H3
InChIKeyVSGIRXXPRVIWNY-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733080
N-[(3-ethyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 82732775
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(2,3-difluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 107513715
(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82730897
N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 82741174
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[1-(3-chloro-2-pyridinyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 103444893

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine (CID 82733064) is N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1F)c1ncccc1CC.
What is the InChIKey of N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is VSGIRXXPRVIWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-3-10-20-17(13-8-5-9-14(18)15(13)19)16-12(4-2)7-6-11-21-16/h5-9,11,17,20H,3-4,10H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine?
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 82733064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).