3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine

C16H19ClN2 — CID 43739721

IUPAC3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CNc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C16H19ClN2/c1-12-7-9-13(10-8-12)11-18-15-6-4-5-14(17)16(15)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyKWLIDZCPACCRTI-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.33
Rot. Bonds4

About 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine

3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine (PubChem CID 43739721) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
PubChem CID43739721
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
SMILESCc1ccc(CNc2cccc(Cl)c2N(C)C)cc1
InChIInChI=1S/C16H19ClN2/c1-12-7-9-13(10-8-12)11-18-15-6-4-5-14(17)16(15)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyKWLIDZCPACCRTI-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-N,2-N-dimethyl-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 43739761
3-chloro-1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739717
3-chloro-2-N,2-N-dimethyl-1-N-[(4-nitrophenyl)methyl]benzene-1,2-diamine
CID 43739674
3-chloro-2-N,2-N-dimethyl-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 43739755
3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 65021658
2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol
CID 63045727
3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739861
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
2-chloro-6-[(4-methylphenyl)methylamino]benzenecarbothioamide
CID 62500937
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319
3-chloro-2-N,2-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 43739781
2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol
CID 79150636

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine (CID 43739721) is 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine is Cc1ccc(CNc2cccc(Cl)c2N(C)C)cc1.
What is the InChIKey of 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is KWLIDZCPACCRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-12-7-9-13(10-8-12)11-18-15-6-4-5-14(17)16(15)19(2)3/h4-10,18H,11H2,1-3H3.
What are the key properties of 3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine?
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.33, 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,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 43739721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).