N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine

C16H26N2O — CID 62635026

IUPACN'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC1CC(c2ccccc2OC)C1
InChIInChI=1S/C16H26N2O/c1-4-18(2)10-9-17-14-11-13(12-14)15-7-5-6-8-16(15)19-3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyODYLTOATYDLJNE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds7

About N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine

N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine (PubChem CID 62635026) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
PubChem CID62635026
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNC1CC(c2ccccc2OC)C1
InChIInChI=1S/C16H26N2O/c1-4-18(2)10-9-17-14-11-13(12-14)15-7-5-6-8-16(15)19-3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyODYLTOATYDLJNE-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
CID 55097698
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
3-(2-methoxyphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115516703
3-(2-methoxyphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80684219
ethyl 4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoate
CID 64577929
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43633599
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]acetamide
CID 43635655
N-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 60779337

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine (CID 62635026) is N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine is CCN(C)CCNC1CC(c2ccccc2OC)C1.
What is the InChIKey of N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine?
The InChIKey is ODYLTOATYDLJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(2)10-9-17-14-11-13(12-14)15-7-5-6-8-16(15)19-3/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine?
N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62635026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).