N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine

C14H14BrClN2O2 — CID 83163614

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine
SMILESCOc1cc(Br)c(CNc2cnccc2Cl)cc1OC
InChIInChI=1S/C14H14BrClN2O2/c1-19-13-5-9(10(15)6-14(13)20-2)7-18-12-8-17-4-3-11(12)16/h3-6,8,18H,7H2,1-2H3
InChIKeyOZEYQORFKFNBGP-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.13
Rot. Bonds5

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine (PubChem CID 83163614) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine
PubChem CID83163614
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine
SMILESCOc1cc(Br)c(CNc2cnccc2Cl)cc1OC
InChIInChI=1S/C14H14BrClN2O2/c1-19-13-5-9(10(15)6-14(13)20-2)7-18-12-8-17-4-3-11(12)16/h3-6,8,18H,7H2,1-2H3
InChIKeyOZEYQORFKFNBGP-UHFFFAOYSA-N
XLogP4.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83167833
3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 84593512
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 83167191
N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine
CID 83166916
2-bromo-6-[[(4-chloro-3-pyridinyl)amino]methyl]phenol
CID 83165585
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698588
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,5-dichloroaniline
CID 66543288
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2,4-dichloroaniline
CID 66542996
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 43220575
5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43787810
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66254209
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
CID 66161162

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine (CID 83163614) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine is COc1cc(Br)c(CNc2cnccc2Cl)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine?
The InChIKey is OZEYQORFKFNBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-19-13-5-9(10(15)6-14(13)20-2)7-18-12-8-17-4-3-11(12)16/h3-6,8,18H,7H2,1-2H3.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine has a molecular weight of 357.64 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine is sourced from PubChem (CID 83163614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).