2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine

C17H28N2O — CID 63955565

IUPAC2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
SMILESCCN(CC1CC1)C(C)C(NC)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-5-19(12-14-6-7-14)13(2)17(18-3)15-8-10-16(20-4)11-9-15/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyJQWBVWPUNZEVCV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.08
Rot. Bonds8

About 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine

2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 63955565) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID63955565
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
SMILESCCN(CC1CC1)C(C)C(NC)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-5-19(12-14-6-7-14)13(2)17(18-3)15-8-10-16(20-4)11-9-15/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyJQWBVWPUNZEVCV-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(cyclopentylmethyl)-1-(4-methoxyphenyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 63631411
N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 107397996
1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62985686
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63956587
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
2-N-(cyclopropylmethyl)-1-N,2-N-diethyl-1-phenylbutane-1,2-diamine
CID 63957194
N-(2-amino-4-methoxyphenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63954097
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 63954730
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine (CID 63955565) is 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine is CCN(CC1CC1)C(C)C(NC)c1ccc(OC)cc1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is JQWBVWPUNZEVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19(12-14-6-7-14)13(2)17(18-3)15-8-10-16(20-4)11-9-15/h8-11,13-14,17-18H,5-7,12H2,1-4H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63955565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).