(Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine

C21H19ClN2 — CID 11759454

IUPAC(Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine
SMILESC[C@H](N/C(=C\c1ccccn1)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H19ClN2/c1-16(17-9-3-2-4-10-17)24-21(15-18-11-7-8-14-23-18)19-12-5-6-13-20(19)22/h2-16,24H,1H3/b21-15-/t16-/m0/s1
InChIKeyRYKQRZCOFGQCOM-NOEYKIMYSA-N
MW334.85 g/mol
LogP5.58
Rot. Bonds5

About (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine

(Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine (PubChem CID 11759454) has the molecular formula C21H19ClN2 and a molecular weight of 334.85 g/mol. Its IUPAC name is (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine.

Molecular Properties

Compound Name(Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine
PubChem CID11759454
Molecular FormulaC21H19ClN2
Molecular Weight334.85 g/mol
Exact Mass334.12
IUPAC Name(Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine
SMILESC[C@H](N/C(=C\c1ccccn1)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H19ClN2/c1-16(17-9-3-2-4-10-17)24-21(15-18-11-7-8-14-23-18)19-12-5-6-13-20(19)22/h2-16,24H,1H3/b21-15-/t16-/m0/s1
InChIKeyRYKQRZCOFGQCOM-NOEYKIMYSA-N
XLogP5.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine?
The IUPAC name of (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine (CID 11759454) is (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine.
What is the SMILES notation for (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine?
The canonical SMILES for (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine is C[C@H](N/C(=C\c1ccccn1)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine?
The InChIKey is RYKQRZCOFGQCOM-NOEYKIMYSA-N. The full InChI is InChI=1S/C21H19ClN2/c1-16(17-9-3-2-4-10-17)24-21(15-18-11-7-8-14-23-18)19-12-5-6-13-20(19)22/h2-16,24H,1H3/b21-15-/t16-/m0/s1.
What are the key properties of (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine?
(Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine has a molecular weight of 334.85 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-chlorophenyl)-N-[(1S)-1-phenylethyl]-2-pyridin-2-ylethenamine is sourced from PubChem (CID 11759454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).