(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine

C14H14Br2N2 — CID 104797063

IUPAC(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
SMILESC[C@@H](NCc1cncc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C14H14Br2N2/c1-10(12-3-2-4-13(15)6-12)18-8-11-5-14(16)9-17-7-11/h2-7,9-10,18H,8H2,1H3/t10-/m1/s1
InChIKeyLXOOIKMFEKFNRM-SNVBAGLBSA-N
MW370.09 g/mol
LogP4.46
Rot. Bonds4

About (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine (PubChem CID 104797063) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
PubChem CID104797063
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
SMILESC[C@@H](NCc1cncc(Br)c1)c1cccc(Br)c1
InChIInChI=1S/C14H14Br2N2/c1-10(12-3-2-4-13(15)6-12)18-8-11-5-14(16)9-17-7-11/h2-7,9-10,18H,8H2,1H3/t10-/m1/s1
InChIKeyLXOOIKMFEKFNRM-SNVBAGLBSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758584
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115580893
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
N-[(3-bromophenyl)methyl]-1-phenylethanamine
CID 2756844
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102794730
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine (CID 104797063) is (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine is C[C@@H](NCc1cncc(Br)c1)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine?
The InChIKey is LXOOIKMFEKFNRM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-10(12-3-2-4-13(15)6-12)18-8-11-5-14(16)9-17-7-11/h2-7,9-10,18H,8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine has a molecular weight of 370.09 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104797063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).