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

C12H18N2O — CID 61453395

IUPAC2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(c1ccccc1N)C1CC1
InChIInChI=1S/C12H18N2O/c1-15-9-8-14(10-6-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
InChIKeyHVDVKPRVTQQJQY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.88
Rot. Bonds5

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

2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 61453395) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
PubChem CID61453395
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCOCCN(c1ccccc1N)C1CC1
InChIInChI=1S/C12H18N2O/c1-15-9-8-14(10-6-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3
InChIKeyHVDVKPRVTQQJQY-UHFFFAOYSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.88
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
4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 115468738
2-N-(4-ethylcyclohexyl)-2-N-propylbenzene-1,2-diamine
CID 64748723
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 64747727
2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine
CID 63937656
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
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]benzonitrile
CID 114880735
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883174
N-cyclopropyl-N-(2-methoxyethyl)-2-[1-(propylamino)propyl]aniline
CID 115995005
N-cyclopropyl-6-hydrazinyl-N-(2-methoxyethyl)pyridin-2-amine
CID 80896205

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine (CID 61453395) is 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine is COCCN(c1ccccc1N)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is HVDVKPRVTQQJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-9-8-14(10-6-7-10)12-5-3-2-4-11(12)13/h2-5,10H,6-9,13H2,1H3.
What are the key properties of 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine?
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 61453395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).