N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine

C13H20N2O — CID 105476318

IUPACN-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)NC1CCC1
InChIInChI=1S/C13H20N2O/c1-16-13-8-3-2-7-11(13)12(9-14)15-10-5-4-6-10/h2-3,7-8,10,12,15H,4-6,9,14H2,1H3
InChIKeyQIVFXJQDISLHSL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.84
Rot. Bonds5

About N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine

N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine (PubChem CID 105476318) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
PubChem CID105476318
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CN)NC1CCC1
InChIInChI=1S/C13H20N2O/c1-16-13-8-3-2-7-11(13)12(9-14)15-10-5-4-6-10/h2-3,7-8,10,12,15H,4-6,9,14H2,1H3
InChIKeyQIVFXJQDISLHSL-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-2-(2-methoxyphenyl)ethanol
CID 61055556
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 105476319
N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine
CID 65382887
1-(2-chloro-6-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 104816316
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N-[1-(2-methoxyphenyl)propyl]oxan-3-amine
CID 63359926
[2-cyclopentyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191072
N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384743
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]piperidin-4-amine
CID 43791300
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine (CID 105476318) is N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine is COc1ccccc1C(CN)NC1CCC1.
What is the InChIKey of N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is QIVFXJQDISLHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13-8-3-2-7-11(13)12(9-14)15-10-5-4-6-10/h2-3,7-8,10,12,15H,4-6,9,14H2,1H3.
What are the key properties of N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine?
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 105476318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).