1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine

C14H14Br2N2 — CID 115622448

IUPAC1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H14Br2N2/c1-18(9-11-3-2-4-12(15)7-11)10-14-6-5-13(16)8-17-14/h2-8H,9-10H2,1H3
InChIKeyPHFZHMRSEFBXBL-UHFFFAOYSA-N
MW370.09 g/mol
LogP4.24
Rot. Bonds4

About 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine

1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine (PubChem CID 115622448) has the molecular formula C14H14Br2N2 and a molecular weight of 370.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
PubChem CID115622448
Molecular FormulaC14H14Br2N2
Molecular Weight370.09 g/mol
Exact Mass367.95
IUPAC Name1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H14Br2N2/c1-18(9-11-3-2-4-12(15)7-11)10-14-6-5-13(16)8-17-14/h2-8H,9-10H2,1H3
InChIKeyPHFZHMRSEFBXBL-UHFFFAOYSA-N
XLogP4.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.09
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine
CID 103056056
3-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 104797610
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182152
1-(3-bromophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 60646316
N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 115622483
[3-[[(3-bromophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62893469
N-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 115622395
1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22194310
3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 62465546
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine (CID 115622448) is 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine is CN(Cc1cccc(Br)c1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine?
The InChIKey is PHFZHMRSEFBXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2/c1-18(9-11-3-2-4-12(15)7-11)10-14-6-5-13(16)8-17-14/h2-8H,9-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine?
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine has a molecular weight of 370.09 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 115622448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).