2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine

C15H17ClN2O2 — CID 103291752

IUPAC2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine
SMILESCOc1ccc(N)c(NCc2c(Cl)cccc2OC)c1
InChIInChI=1S/C15H17ClN2O2/c1-19-10-6-7-13(17)14(8-10)18-9-11-12(16)4-3-5-15(11)20-2/h3-8,18H,9,17H2,1-2H3
InChIKeyVYFVHBXIXKSLPL-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.55
Rot. Bonds5

About 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine

2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine (PubChem CID 103291752) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine
PubChem CID103291752
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine
SMILESCOc1ccc(N)c(NCc2c(Cl)cccc2OC)c1
InChIInChI=1S/C15H17ClN2O2/c1-19-10-6-7-13(17)14(8-10)18-9-11-12(16)4-3-5-15(11)20-2/h3-8,18H,9,17H2,1-2H3
InChIKeyVYFVHBXIXKSLPL-UHFFFAOYSA-N
XLogP3.55
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
6-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzodioxol-5-amine
CID 104815788
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
2-N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 103291754
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
CID 114318245
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358
[3-[(2-amino-5-methoxyanilino)methyl]phenyl]methanol
CID 107231944

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine?
The IUPAC name of 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine (CID 103291752) is 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine is COc1ccc(N)c(NCc2c(Cl)cccc2OC)c1.
What is the InChIKey of 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine?
The InChIKey is VYFVHBXIXKSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-19-10-6-7-13(17)14(8-10)18-9-11-12(16)4-3-5-15(11)20-2/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine?
2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methoxybenzene-1,2-diamine is sourced from PubChem (CID 103291752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).