4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine

C12H17ClN2O — CID 115468738

IUPAC4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(c1cc(Cl)ccc1N)C1CC1
InChIInChI=1S/C12H17ClN2O/c1-16-7-6-15(10-3-4-10)12-8-9(13)2-5-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3
InChIKeyALKAESNZZUYWIU-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.54
Rot. Bonds5

About 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine

4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 115468738) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
PubChem CID115468738
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(c1cc(Cl)ccc1N)C1CC1
InChIInChI=1S/C12H17ClN2O/c1-16-7-6-15(10-3-4-10)12-8-9(13)2-5-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3
InChIKeyALKAESNZZUYWIU-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.54
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

4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 65343179
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
5-chloro-2-[cyclopropyl(2-methoxyethyl)amino]benzoic acid
CID 55139261
2-amino-5-chloro-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61110797
2-(2-aminoethyl)-3-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 63786686
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637
6-amino-5-[cyclopropyl(2-methoxyethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425313
2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide
CID 114278288
2-(2-aminobutyl)-5-chloro-N-cyclopropyl-N-propylaniline
CID 114860559
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946
4-[(tert-butylamino)methyl]-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 81148121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine (CID 115468738) is 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine is COCCN(c1cc(Cl)ccc1N)C1CC1.
What is the InChIKey of 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is ALKAESNZZUYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-7-6-15(10-3-4-10)12-8-9(13)2-5-11(12)14/h2,5,8,10H,3-4,6-7,14H2,1H3.
What are the key properties of 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 240.73 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 115468738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).