4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine

C15H17ClN2O — CID 115468715

IUPAC4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCOc1cccc(CN(C)c2cc(Cl)ccc2N)c1
InChIInChI=1S/C15H17ClN2O/c1-18(15-9-12(16)6-7-14(15)17)10-11-4-3-5-13(8-11)19-2/h3-9H,10,17H2,1-2H3
InChIKeyQGQJECJHNJUVEW-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.57
Rot. Bonds4

About 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine

4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine (PubChem CID 115468715) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
PubChem CID115468715
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
SMILESCOc1cccc(CN(C)c2cc(Cl)ccc2N)c1
InChIInChI=1S/C15H17ClN2O/c1-18(15-9-12(16)6-7-14(15)17)10-11-4-3-5-13(8-11)19-2/h3-9H,10,17H2,1-2H3
InChIKeyQGQJECJHNJUVEW-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 114846461
4-chloro-2-N-[(2-fluoro-4-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466302
5-chloro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 62100733
3-[(2-amino-5-chloro-N-methylanilino)methyl]benzonitrile
CID 115468933
4-[(2-amino-5-chloro-N-methylanilino)methyl]-2-methoxybenzonitrile
CID 107466223
4-chloro-2-N-[(2,6-difluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 107466040
3-amino-4-[(3-methoxyphenyl)methyl-methylamino]benzamide
CID 61420166
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
2-[(3-chlorophenyl)methyl-methylamino]-4-methoxybenzenecarbothioamide
CID 81297786
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
CID 63189213

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine (CID 115468715) is 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine is COc1cccc(CN(C)c2cc(Cl)ccc2N)c1.
What is the InChIKey of 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine?
The InChIKey is QGQJECJHNJUVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-18(15-9-12(16)6-7-14(15)17)10-11-4-3-5-13(8-11)19-2/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine?
4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115468715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).