N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline

C14H13BrClNO — CID 43087958

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
SMILESCOc1ccc(Br)cc1CNc1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO/c1-18-14-6-5-11(15)7-10(14)9-17-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyROFWFHGLGCTTMX-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.72
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline

N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline (PubChem CID 43087958) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
PubChem CID43087958
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
SMILESCOc1ccc(Br)cc1CNc1cccc(Cl)c1
InChIInChI=1S/C14H13BrClNO/c1-18-14-6-5-11(15)7-10(14)9-17-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyROFWFHGLGCTTMX-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methylsulfanylaniline
CID 43217319
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
2-[3-[(5-bromo-2-methoxyphenyl)methylamino]phenoxy]acetonitrile
CID 43721191
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 784383

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline (CID 43087958) is N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline is COc1ccc(Br)cc1CNc1cccc(Cl)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline?
The InChIKey is ROFWFHGLGCTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-18-14-6-5-11(15)7-10(14)9-17-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline?
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline has a molecular weight of 326.62 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline is sourced from PubChem (CID 43087958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).