(1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C17H21FN2 — CID 124852535

IUPAC(1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CN[C@H](C)c2ccncc2F)c(C)c1
InChIInChI=1S/C17H21FN2/c1-11-7-12(2)16(13(3)8-11)9-20-14(4)15-5-6-19-10-17(15)18/h5-8,10,14,20H,9H2,1-4H3/t14-/m1/s1
InChIKeyVASHXXPTWMBTOE-CQSZACIVSA-N
MW272.37 g/mol
LogP4.00
Rot. Bonds4

About (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

(1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 124852535) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID124852535
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name(1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CN[C@H](C)c2ccncc2F)c(C)c1
InChIInChI=1S/C17H21FN2/c1-11-7-12(2)16(13(3)8-11)9-20-14(4)15-5-6-19-10-17(15)18/h5-8,10,14,20H,9H2,1-4H3/t14-/m1/s1
InChIKeyVASHXXPTWMBTOE-CQSZACIVSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
CID 130616226
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43080713
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
2-[[[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 164633343
1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine
CID 115901861
1-(5-methylthiophen-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 61473381
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406046
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 124852535) is (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CN[C@H](C)c2ccncc2F)c(C)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is VASHXXPTWMBTOE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN2/c1-11-7-12(2)16(13(3)8-11)9-20-14(4)15-5-6-19-10-17(15)18/h5-8,10,14,20H,9H2,1-4H3/t14-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
(1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 272.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 124852535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).