1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine

C14H15BrN2 — CID 60712627

IUPAC1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1ccccn1
InChIInChI=1S/C14H15BrN2/c1-17(11-14-4-2-3-9-16-14)10-12-5-7-13(15)8-6-12/h2-9H,10-11H2,1H3
InChIKeySXLMPVCNNSFWKH-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine

1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 60712627) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID60712627
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1ccccn1
InChIInChI=1S/C14H15BrN2/c1-17(11-14-4-2-3-9-16-14)10-12-5-7-13(15)8-6-12/h2-9H,10-11H2,1H3
InChIKeySXLMPVCNNSFWKH-UHFFFAOYSA-N
XLogP3.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 54971683
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347050
1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 62611657
N,N-dimethyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 75500442
[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248751
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076
cis-(1R,2S)-N,2-dimethyl-N-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]cyclohexan-1-amine
CID 59989994
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine (CID 60712627) is 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine is CN(Cc1ccc(Br)cc1)Cc1ccccn1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is SXLMPVCNNSFWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-17(11-14-4-2-3-9-16-14)10-12-5-7-13(15)8-6-12/h2-9H,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine?
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 291.19 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 60712627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).