N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine

C13H12BrClN2 — CID 66231617

IUPACN-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C13H12BrClN2/c1-17(13-7-6-12(15)8-16-13)9-10-2-4-11(14)5-3-10/h2-8H,9H2,1H3
InChIKeyRQRHTCXEGFDIHK-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.13
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine

N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine (PubChem CID 66231617) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
PubChem CID66231617
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC NameN-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C13H12BrClN2/c1-17(13-7-6-12(15)8-16-13)9-10-2-4-11(14)5-3-10/h2-8H,9H2,1H3
InChIKeyRQRHTCXEGFDIHK-UHFFFAOYSA-N
XLogP4.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
CID 96998475
5-bromo-N-[2-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 115146882
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62287672
5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
CID 115146736
N-[(4-bromophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379910
6-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 55054791
N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine
CID 80935805
5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine
CID 103054121
5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66340835
4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112726058

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine (CID 66231617) is N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine is CN(Cc1ccc(Br)cc1)c1ccc(Cl)cn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine?
The InChIKey is RQRHTCXEGFDIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-17(13-7-6-12(15)8-16-13)9-10-2-4-11(14)5-3-10/h2-8H,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine?
N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine has a molecular weight of 311.61 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-5-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 66231617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).