3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine

C16H19ClN2 — CID 43587735

IUPAC3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1ccccc1C)c1c(N)cccc1Cl
InChIInChI=1S/C16H19ClN2/c1-3-19(11-13-8-5-4-7-12(13)2)16-14(17)9-6-10-15(16)18/h4-10H,3,11,18H2,1-2H3
InChIKeyXDEWPAJJHBBMEY-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.26
Rot. Bonds4

About 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine

3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (PubChem CID 43587735) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
PubChem CID43587735
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1ccccc1C)c1c(N)cccc1Cl
InChIInChI=1S/C16H19ClN2/c1-3-19(11-13-8-5-4-7-12(13)2)16-14(17)9-6-10-15(16)18/h4-10H,3,11,18H2,1-2H3
InChIKeyXDEWPAJJHBBMEY-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine
CID 28983511
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 115550226
2-(bromomethyl)-6-chloro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114067697
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 115550334
3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
CID 115549884

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine (CID 43587735) is 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is CCN(Cc1ccccc1C)c1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is XDEWPAJJHBBMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-19(11-13-8-5-4-7-12(13)2)16-14(17)9-6-10-15(16)18/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine?
3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 43587735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).