(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine

C14H14Cl2N2 — CID 81406292

IUPAC(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccncc1
InChIInChI=1S/C14H14Cl2N2/c1-10(12-2-4-17-5-3-12)18-9-11-6-13(15)8-14(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyHTPXKZTUJJJIMP-SNVBAGLBSA-N
MW281.19 g/mol
LogP4.24
Rot. Bonds4

About (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine

(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81406292) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81406292
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccncc1
InChIInChI=1S/C14H14Cl2N2/c1-10(12-2-4-17-5-3-12)18-9-11-6-13(15)8-14(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyHTPXKZTUJJJIMP-SNVBAGLBSA-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

(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
(1S)-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395702
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406046
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine (CID 81406292) is (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine is C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccncc1.
What is the InChIKey of (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is HTPXKZTUJJJIMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-10(12-2-4-17-5-3-12)18-9-11-6-13(15)8-14(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine?
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-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 (1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81406292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).