(1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine

C19H17ClFN3 — CID 129358204

IUPAC(1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
SMILESFc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)nc1
InChIInChI=1S/C19H17ClFN3/c20-15-6-4-14(5-7-15)11-19(18-3-1-2-10-22-18)24-13-17-9-8-16(21)12-23-17/h1-10,12,19,24H,11,13H2/t19-/m0/s1
InChIKeyDGEDJEREOSASHC-IBGZPJMESA-N
MW341.82 g/mol
LogP4.34
Rot. Bonds6

About (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine

(1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 129358204) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID129358204
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name(1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
SMILESFc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)nc1
InChIInChI=1S/C19H17ClFN3/c20-15-6-4-14(5-7-15)11-19(18-3-1-2-10-22-18)24-13-17-9-8-16(21)12-23-17/h1-10,12,19,24H,11,13H2/t19-/m0/s1
InChIKeyDGEDJEREOSASHC-IBGZPJMESA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine (CID 129358204) is (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine is Fc1ccc(CN[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)nc1.
What is the InChIKey of (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is DGEDJEREOSASHC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17ClFN3/c20-15-6-4-14(5-7-15)11-19(18-3-1-2-10-22-18)24-13-17-9-8-16(21)12-23-17/h1-10,12,19,24H,11,13H2/t19-/m0/s1.
What are the key properties of (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine?
(1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 341.82 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-chlorophenyl)-N-[(5-fluoro-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 129358204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).