N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine

C16H26N2O — CID 43270179

IUPACN-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1ccccc1OCC
InChIInChI=1S/C16H26N2O/c1-3-11-18(13-9-10-13)15(12-17)14-7-5-6-8-16(14)19-4-2/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyBXHKJFXBXSCCGU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds8

About N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine

N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine (PubChem CID 43270179) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
PubChem CID43270179
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1ccccc1OCC
InChIInChI=1S/C16H26N2O/c1-3-11-18(13-9-10-13)15(12-17)14-7-5-6-8-16(14)19-4-2/h5-8,13,15H,3-4,9-12,17H2,1-2H3
InChIKeyBXHKJFXBXSCCGU-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-(2-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43180403
N-cyclopropyl-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43264757
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904
N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 43540885
1-(2-ethoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570790
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434
1-(2-ethoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569806
1-(4-bromo-2-fluorophenyl)-N-cyclopropyl-N-propylethane-1,2-diamine
CID 43270201
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-propylethane-1,2-diamine
CID 43753483
3-[cyclopropyl-[1-(2-ethoxyphenyl)ethyl]amino]propanoic acid
CID 65059340
1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433486
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine (CID 43270179) is N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine is CCCN(C1CC1)C(CN)c1ccccc1OCC.
What is the InChIKey of N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine?
The InChIKey is BXHKJFXBXSCCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-11-18(13-9-10-13)15(12-17)14-7-5-6-8-16(14)19-4-2/h5-8,13,15H,3-4,9-12,17H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine?
N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-ethoxyphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 43270179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).