N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine

C15H18BrN3 — CID 62293554

IUPACN-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccnc(N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C15H18BrN3/c1-17-10-12-7-8-18-15(9-12)19(2)11-13-5-3-4-6-14(13)16/h3-9,17H,10-11H2,1-2H3
InChIKeyLXQOIZNNWZVLIP-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine

N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 62293554) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
PubChem CID62293554
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccnc(N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C15H18BrN3/c1-17-10-12-7-8-18-15(9-12)19(2)11-13-5-3-4-6-14(13)16/h3-9,17H,10-11H2,1-2H3
InChIKeyLXQOIZNNWZVLIP-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62288918
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridazin-3-amine
CID 55059071
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793977
N-[(2-bromophenyl)methyl]-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62292840
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62294613
N-methyl-N-[(2-methylphenyl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287039
2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide
CID 61416094
N-(cyclopropylmethyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62282284
[2-[methyl-[(2-methylphenyl)methyl]amino]-4-pyridinyl]methanol
CID 61411894
[2-[(2-chlorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 61417390
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine (CID 62293554) is N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine is CNCc1ccnc(N(C)Cc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is LXQOIZNNWZVLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-17-10-12-7-8-18-15(9-12)19(2)11-13-5-3-4-6-14(13)16/h3-9,17H,10-11H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.20, 5 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-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62293554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).