N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

C17H22BrN3 — CID 81249514

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cnccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C17H22BrN3/c1-13(2)20-11-15-10-19-9-8-17(15)21(3)12-14-6-4-5-7-16(14)18/h4-10,13,20H,11-12H2,1-3H3
InChIKeySUCIGIXJGBNCRJ-UHFFFAOYSA-N
MW348.29 g/mol
LogP3.98
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81249514) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81249514
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cnccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C17H22BrN3/c1-13(2)20-11-15-10-19-9-8-17(15)21(3)12-14-6-4-5-7-16(14)18/h4-10,13,20H,11-12H2,1-3H3
InChIKeySUCIGIXJGBNCRJ-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 105075920
4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81232826
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81254476

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81249514) is N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cnccc1N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is SUCIGIXJGBNCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-13(2)20-11-15-10-19-9-8-17(15)21(3)12-14-6-4-5-7-16(14)18/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 348.29 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81249514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).