N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine

C17H28N2O — CID 107397996

IUPACN'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCN(CC1CCC1)CC(NC)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-19(12-14-6-5-7-14)13-17(18-2)15-8-10-16(20-3)11-9-15/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyJFWWRPULZBAWNL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.08
Rot. Bonds8

About N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine

N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 107397996) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID107397996
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCCN(CC1CCC1)CC(NC)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-19(12-14-6-5-7-14)13-17(18-2)15-8-10-16(20-3)11-9-15/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyJFWWRPULZBAWNL-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

N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63956587
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
2-N-(cyclopentylmethyl)-1-(4-methoxyphenyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 63631411
2-N-(cyclopropylmethyl)-2-N-ethyl-1-(4-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 63955565
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 63955363
N'-(cyclohexylmethyl)-1-(4-ethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 63468506
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[1-(4-methoxyphenyl)propyl]-2-methylcyclohexan-1-amine
CID 43080624
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine (CID 107397996) is N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine is CCN(CC1CCC1)CC(NC)c1ccc(OC)cc1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is JFWWRPULZBAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(12-14-6-5-7-14)13-17(18-2)15-8-10-16(20-3)11-9-15/h8-11,14,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine?
N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-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 N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 107397996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).