6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine

C16H20BrN3 — CID 103937072

IUPAC6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine
SMILESCC[C@H](N)c1ccc(N(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C16H20BrN3/c1-3-15(18)16-9-8-13(10-19-16)20(2)11-12-6-4-5-7-14(12)17/h4-10,15H,3,11,18H2,1-2H3/t15-/m0/s1
InChIKeyRPAXRNMINXXSTL-HNNXBMFYSA-N
MW334.26 g/mol
LogP3.89
Rot. Bonds5

About 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine

6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine (PubChem CID 103937072) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine
PubChem CID103937072
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine
SMILESCC[C@H](N)c1ccc(N(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C16H20BrN3/c1-3-15(18)16-9-8-13(10-19-16)20(2)11-12-6-4-5-7-14(12)17/h4-10,15H,3,11,18H2,1-2H3/t15-/m0/s1
InChIKeyRPAXRNMINXXSTL-HNNXBMFYSA-N
XLogP3.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940397
6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
CID 112584270
6-[(1S)-1-aminopropyl]-N-methyl-N-propylpyridin-3-amine
CID 103936975
6-[(1S)-1-aminopropyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 103937054
6-(1-aminopropyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-3-amine
CID 112584377
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075
6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 103937223
6-[(1R)-1-aminopropyl]-N-(cyclopropylmethyl)-N-methylpyridin-3-amine
CID 103937043
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
6-[(1R)-1-aminopropyl]-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 103937486
6-(1-aminopropyl)-N-ethyl-N-phenylpyridin-3-amine
CID 112584084
6-(1-aminopropyl)-N,N-diethylpyridin-3-amine
CID 112584036

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine (CID 103937072) is 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine is CC[C@H](N)c1ccc(N(C)Cc2ccccc2Br)cn1.
What is the InChIKey of 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine?
The InChIKey is RPAXRNMINXXSTL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-3-15(18)16-9-8-13(10-19-16)20(2)11-12-6-4-5-7-14(12)17/h4-10,15H,3,11,18H2,1-2H3/t15-/m0/s1.
What are the key properties of 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine?
6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine has a molecular weight of 334.26 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 103937072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).