1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol

C16H19BrN2O — CID 115940397

IUPAC1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-3-16(20)15-9-8-13(10-18-15)19(2)11-12-6-4-5-7-14(12)17/h4-10,16,20H,3,11H2,1-2H3
InChIKeyBRVXAMDOSYFBSU-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.92
Rot. Bonds5

About 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol

1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol (PubChem CID 115940397) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
PubChem CID115940397
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-3-16(20)15-9-8-13(10-18-15)19(2)11-12-6-4-5-7-14(12)17/h4-10,16,20H,3,11H2,1-2H3
InChIKeyBRVXAMDOSYFBSU-UHFFFAOYSA-N
XLogP3.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine
CID 103937072
(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(1R)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938329
1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 115940380
(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938832
(1R)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938831
(1S)-1-[5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938734
(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938326
3-[[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]methyl]benzonitrile
CID 103938713
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
CID 103938368
3-[[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 112585464

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol (CID 115940397) is 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N(C)Cc2ccccc2Br)cn1.
What is the InChIKey of 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol?
The InChIKey is BRVXAMDOSYFBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-16(20)15-9-8-13(10-18-15)19(2)11-12-6-4-5-7-14(12)17/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol?
1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol has a molecular weight of 335.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).