5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine

C17H22BrN3 — CID 133316898

IUPAC5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1cncc(Br)c1
InChIInChI=1S/C17H22BrN3/c1-13(2)21(3)12-15-7-5-4-6-14(15)9-20-17-8-16(18)10-19-11-17/h4-8,10-11,13,20H,9,12H2,1-3H3
InChIKeyYKYYJJXFAUEXAQ-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.30
Rot. Bonds6

About 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine

5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine (PubChem CID 133316898) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine
PubChem CID133316898
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine
SMILESCC(C)N(C)Cc1ccccc1CNc1cncc(Br)c1
InChIInChI=1S/C17H22BrN3/c1-13(2)21(3)12-15-7-5-4-6-14(15)9-20-17-8-16(18)10-19-11-17/h4-8,10-11,13,20H,9,12H2,1-3H3
InChIKeyYKYYJJXFAUEXAQ-UHFFFAOYSA-N
XLogP4.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine
CID 113260946
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-benzothiazol-2-amine
CID 60504601
4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]guanidine;hydroiodide
CID 110893248
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
5-fluoro-2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]benzonitrile
CID 133316804
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442284
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine (CID 133316898) is 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine is CC(C)N(C)Cc1ccccc1CNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine?
The InChIKey is YKYYJJXFAUEXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-13(2)21(3)12-15-7-5-4-6-14(15)9-20-17-8-16(18)10-19-11-17/h4-8,10-11,13,20H,9,12H2,1-3H3.
What are the key properties of 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine?
5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine has a molecular weight of 348.29 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 133316898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).