(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine

C14H14BrClN2 — CID 103936797

IUPAC(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1cccc(Br)n1)c1ccccc1Cl
InChIInChI=1S/C14H14BrClN2/c1-10(12-6-2-3-7-13(12)16)17-9-11-5-4-8-14(15)18-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyNBUPBGCIJIWECM-SNVBAGLBSA-N
MW325.64 g/mol
LogP4.35
Rot. Bonds4

About (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine

(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine (PubChem CID 103936797) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
PubChem CID103936797
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1cccc(Br)n1)c1ccccc1Cl
InChIInChI=1S/C14H14BrClN2/c1-10(12-6-2-3-7-13(12)16)17-9-11-5-4-8-14(15)18-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyNBUPBGCIJIWECM-SNVBAGLBSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115938017
N-[(6-bromo-2-pyridinyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 112582004
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
(1R)-1-(2-chlorophenyl)-N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9306498
N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
CID 112581921
N-[(6-bromo-2-pyridinyl)methyl]hexan-2-amine
CID 112582303
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649363
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
N-[(6-bromo-2-pyridinyl)methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 113357896

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine (CID 103936797) is (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine is C[C@@H](NCc1cccc(Br)n1)c1ccccc1Cl.
What is the InChIKey of (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine?
The InChIKey is NBUPBGCIJIWECM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-10(12-6-2-3-7-13(12)16)17-9-11-5-4-8-14(15)18-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine?
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine has a molecular weight of 325.64 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 103936797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).