(1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine

C18H21FN2 — CID 129471403

IUPAC(1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1cc([C@@H](N[C@H](C)c2ccccn2)C2CC2)ccc1F
InChIInChI=1S/C18H21FN2/c1-12-11-15(8-9-16(12)19)18(14-6-7-14)21-13(2)17-5-3-4-10-20-17/h3-5,8-11,13-14,18,21H,6-7H2,1-2H3/t13-,18+/m1/s1
InChIKeyHTFGZOGLNNGATC-ACJLOTCBSA-N
MW284.38 g/mol
LogP4.33
Rot. Bonds5

About (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 129471403) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID129471403
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name(1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1cc([C@@H](N[C@H](C)c2ccccn2)C2CC2)ccc1F
InChIInChI=1S/C18H21FN2/c1-12-11-15(8-9-16(12)19)18(14-6-7-14)21-13(2)17-5-3-4-10-20-17/h3-5,8-11,13-14,18,21H,6-7H2,1-2H3/t13-,18+/m1/s1
InChIKeyHTFGZOGLNNGATC-ACJLOTCBSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401331
(1S)-N-(dicyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 28660896
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
N-[cyclopropyl(phenyl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117763
1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
CID 115683937
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
CID 115898278
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285
(1R)-1-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81367216
1-cyclopropyl-2-methoxy-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81402259
[(4-fluoro-3-methylphenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232186

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine (CID 129471403) is (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine is Cc1cc([C@@H](N[C@H](C)c2ccccn2)C2CC2)ccc1F.
What is the InChIKey of (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is HTFGZOGLNNGATC-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12-11-15(8-9-16(12)19)18(14-6-7-14)21-13(2)17-5-3-4-10-20-17/h3-5,8-11,13-14,18,21H,6-7H2,1-2H3/t13-,18+/m1/s1.
What are the key properties of (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 284.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 129471403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).