1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine

C13H19ClN2 — CID 106437984

IUPAC1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESC/C(=C\Cl)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C13H19ClN2/c1-10(8-14)9-15-12-6-5-11(2)13(7-12)16(3)4/h5-8,15H,9H2,1-4H3/b10-8+
InChIKeyOGPKECAQSQIVTR-CSKARUKUSA-N
MW238.76 g/mol
LogP3.62
Rot. Bonds4

About 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 106437984) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID106437984
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESC/C(=C\Cl)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C13H19ClN2/c1-10(8-14)9-15-12-6-5-11(2)13(7-12)16(3)4/h5-8,15H,9H2,1-4H3/b10-8+
InChIKeyOGPKECAQSQIVTR-CSKARUKUSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine with MolForge

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Related Compounds

N-[(E)-3-chloro-2-methylprop-2-enyl]-4-methoxy-3-methylaniline
CID 106437613
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
CID 115378141
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 113297775
N-[(E)-3-chloro-2-methylprop-2-enyl]-3,4-dimethoxyaniline
CID 106437326
2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
CID 113297783
6-[3-(dimethylamino)-4-methylanilino]hexanal
CID 88587221
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylpropyl)acetamide
CID 115378145
1-N-[(3,5-dichlorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376970
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 115378318
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
3,5-dichloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]aniline
CID 106437333

Frequently Asked Questions

What is the IUPAC name of 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 106437984) is 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is C/C(=C\Cl)CNc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is OGPKECAQSQIVTR-CSKARUKUSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10(8-14)9-15-12-6-5-11(2)13(7-12)16(3)4/h5-8,15H,9H2,1-4H3/b10-8+.
What are the key properties of 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 106437984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).