(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine

C14H14Cl2N2 — CID 28647738

IUPAC(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C14H14Cl2N2/c1-10(14-4-2-3-7-17-14)18-9-11-5-6-12(15)13(16)8-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyYWXOUNPUXWSERC-JTQLQIEISA-N
MW281.19 g/mol
LogP4.24
Rot. Bonds4

About (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine

(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 28647738) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID28647738
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccn1
InChIInChI=1S/C14H14Cl2N2/c1-10(14-4-2-3-7-17-14)18-9-11-5-6-12(15)13(16)8-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyYWXOUNPUXWSERC-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-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455
(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401977
(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 28649895
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 78978115
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
2-(3,4-dichlorophenyl)-N-methyl-1-pyridin-2-ylethanamine
CID 62601667
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine (CID 28647738) is (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine is C[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccccn1.
What is the InChIKey of (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is YWXOUNPUXWSERC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-10(14-4-2-3-7-17-14)18-9-11-5-6-12(15)13(16)8-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-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-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 28647738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).