(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

C15H17BrN2 — CID 102794730

IUPAC(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1cncc(CN[C@H](C)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H17BrN2/c1-11-7-13(9-17-8-11)10-18-12(2)14-3-5-15(16)6-4-14/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyPNJXKBSRAOCSMN-GFCCVEGCSA-N
MW305.22 g/mol
LogP4.00
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 102794730) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID102794730
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCc1cncc(CN[C@H](C)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H17BrN2/c1-11-7-13(9-17-8-11)10-18-12(2)14-3-5-15(16)6-4-14/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1
InChIKeyPNJXKBSRAOCSMN-GFCCVEGCSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115580893
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
(1R)-1-(3-bromophenyl)-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104797063
N-[(5-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 113349294
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
(1S)-1-(4-bromophenyl)-N-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ethanamine
CID 166396020
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (CID 102794730) is (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is Cc1cncc(CN[C@H](C)c2ccc(Br)cc2)c1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is PNJXKBSRAOCSMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-7-13(9-17-8-11)10-18-12(2)14-3-5-15(16)6-4-14/h3-9,12,18H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 305.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 102794730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).