3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine

C15H21ClN4 — CID 62955967

IUPAC3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine
SMILESCCCn1ccnc1CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C15H21ClN4/c1-4-9-20-10-8-17-14(20)11-18-13-7-5-6-12(16)15(13)19(2)3/h5-8,10,18H,4,9,11H2,1-3H3
InChIKeyNNPAKRKJSHYUJU-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.62
Rot. Bonds6

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

3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine (PubChem CID 62955967) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine
PubChem CID62955967
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine
SMILESCCCn1ccnc1CNc1cccc(Cl)c1N(C)C
InChIInChI=1S/C15H21ClN4/c1-4-9-20-10-8-17-14(20)11-18-13-7-5-6-12(16)15(13)19(2)3/h5-8,10,18H,4,9,11H2,1-3H3
InChIKeyNNPAKRKJSHYUJU-UHFFFAOYSA-N
XLogP3.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine
CID 66412332
2-bromo-3-chloro-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 103478138
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
3-chloro-2-N,2-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 43739781
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-methylphenyl)methyl]benzene-1,2-diamine
CID 43739721
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667
3-chloro-2-N,2-N-dimethyl-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 43739761

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine (CID 62955967) is 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine is CCCn1ccnc1CNc1cccc(Cl)c1N(C)C.
What is the InChIKey of 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine?
The InChIKey is NNPAKRKJSHYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-4-9-20-10-8-17-14(20)11-18-13-7-5-6-12(16)15(13)19(2)3/h5-8,10,18H,4,9,11H2,1-3H3.
What are the key properties of 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine?
3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine has a molecular weight of 292.81 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylimidazol-2-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 62955967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).