N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine

C16H26N2O2 — CID 63954730

IUPACN-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CC1)C(CN)c1cc(OC)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-18(11-12-5-6-12)15(10-17)14-9-13(19-2)7-8-16(14)20-3/h7-9,12,15H,4-6,10-11,17H2,1-3H3
InChIKeyDJZICVYJEXJEFV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.44
Rot. Bonds8

About N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine (PubChem CID 63954730) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
PubChem CID63954730
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CC1)C(CN)c1cc(OC)ccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-18(11-12-5-6-12)15(10-17)14-9-13(19-2)7-8-16(14)20-3/h7-9,12,15H,4-6,10-11,17H2,1-3H3
InChIKeyDJZICVYJEXJEFV-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 54884298
N-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43263961
(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 93489442
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(3-chloro-4-methoxyphenyl)-N-(cyclobutylmethyl)-N-ethylethane-1,2-diamine
CID 107397774
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571892
1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61444733
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)-N-methylethane-1,2-diamine
CID 60984762
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine (CID 63954730) is N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine is CCN(CC1CC1)C(CN)c1cc(OC)ccc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is DJZICVYJEXJEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18(11-12-5-6-12)15(10-17)14-9-13(19-2)7-8-16(14)20-3/h7-9,12,15H,4-6,10-11,17H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 63954730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).