3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine

C14H16BrN3 — CID 62465546

IUPAC3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine
SMILESCN(Cc1cccc(Br)c1)Cc1cccnc1N
InChIInChI=1S/C14H16BrN3/c1-18(9-11-4-2-6-13(15)8-11)10-12-5-3-7-17-14(12)16/h2-8H,9-10H2,1H3,(H2,16,17)
InChIKeyMDPKOHGTPBGADA-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.06
Rot. Bonds4

About 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine

3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine (PubChem CID 62465546) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine
PubChem CID62465546
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine
SMILESCN(Cc1cccc(Br)c1)Cc1cccnc1N
InChIInChI=1S/C14H16BrN3/c1-18(9-11-4-2-6-13(15)8-11)10-12-5-3-7-17-14(12)16/h2-8H,9-10H2,1H3,(H2,16,17)
InChIKeyMDPKOHGTPBGADA-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine?
The IUPAC name of 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine (CID 62465546) is 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine is CN(Cc1cccc(Br)c1)Cc1cccnc1N.
What is the InChIKey of 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine?
The InChIKey is MDPKOHGTPBGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-18(9-11-4-2-6-13(15)8-11)10-12-5-3-7-17-14(12)16/h2-8H,9-10H2,1H3,(H2,16,17).
What are the key properties of 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine?
3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine is sourced from PubChem (CID 62465546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).