N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine

C16H19FN2 — CID 55166973

IUPACN-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2ccc(F)c(CNC(C)C)c2)cn1
InChIInChI=1S/C16H19FN2/c1-11(2)18-10-15-8-13(6-7-16(15)17)14-5-4-12(3)19-9-14/h4-9,11,18H,10H2,1-3H3
InChIKeyRSZBDPAJUXTJKA-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.69
Rot. Bonds4

About N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine

N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine (PubChem CID 55166973) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
PubChem CID55166973
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine
SMILESCc1ccc(-c2ccc(F)c(CNC(C)C)c2)cn1
InChIInChI=1S/C16H19FN2/c1-11(2)18-10-15-8-13(6-7-16(15)17)14-5-4-12(3)19-9-14/h4-9,11,18H,10H2,1-3H3
InChIKeyRSZBDPAJUXTJKA-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 54980296
N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106879353
N-[[5-(3-bromophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115503889
N-[[5-(1,3-dihydro-2-benzofuran-5-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 63019020
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81253500
N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 79742526
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine
CID 63962668
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
5-(3,5-difluoro-4-propan-2-ylphenyl)-2-methylpyridine
CID 162772276
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
CID 61077044

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine (CID 55166973) is N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine is Cc1ccc(-c2ccc(F)c(CNC(C)C)c2)cn1.
What is the InChIKey of N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine?
The InChIKey is RSZBDPAJUXTJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11(2)18-10-15-8-13(6-7-16(15)17)14-5-4-12(3)19-9-14/h4-9,11,18H,10H2,1-3H3.
What are the key properties of N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine?
N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine has a molecular weight of 258.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(6-methyl-3-pyridinyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 55166973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).