(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine

C14H14Cl2N2 — CID 28655829

IUPAC(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1cccc(Cl)c1Cl)c1cccnc1
InChIInChI=1S/C14H14Cl2N2/c1-10(11-5-3-7-17-8-11)18-9-12-4-2-6-13(15)14(12)16/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyCSJSPNJOMWKIAA-JTQLQIEISA-N
MW281.19 g/mol
LogP4.24
Rot. Bonds4

About (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 28655829) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID28655829
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1cccc(Cl)c1Cl)c1cccnc1
InChIInChI=1S/C14H14Cl2N2/c1-10(11-5-3-7-17-8-11)18-9-12-4-2-6-13(15)14(12)16/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyCSJSPNJOMWKIAA-JTQLQIEISA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78978897
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
CID 80650370

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine (CID 28655829) is (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine is C[C@H](NCc1cccc(Cl)c1Cl)c1cccnc1.
What is the InChIKey of (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is CSJSPNJOMWKIAA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-10(11-5-3-7-17-8-11)18-9-12-4-2-6-13(15)14(12)16/h2-8,10,18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 281.19 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 28655829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).