N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine

C13H20N2O — CID 105476319

IUPACN-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NC2CCC2)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-7-5-10(6-8-12)13(9-14)15-11-3-2-4-11/h5-8,11,13,15H,2-4,9,14H2,1H3
InChIKeyQCPDNLDHFZDRCQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.84
Rot. Bonds5

About N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine

N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 105476319) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID105476319
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NC2CCC2)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-7-5-10(6-8-12)13(9-14)15-11-3-2-4-11/h5-8,11,13,15H,2-4,9,14H2,1H3
InChIKeyQCPDNLDHFZDRCQ-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

N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
N-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65385001
3-methoxy-N-[1-(4-methoxyphenyl)propyl]cyclohexan-1-amine
CID 103904067
N-cyclopentyl-1-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65382888
1-(3-chloro-4-methoxyphenyl)-N-cyclopentylethane-1,2-diamine
CID 65384153
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[1-(4-methoxyphenyl)propyl]-1-propylpiperidin-4-amine
CID 43183002

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine (CID 105476319) is N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine is COc1ccc(C(CN)NC2CCC2)cc1.
What is the InChIKey of N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is QCPDNLDHFZDRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-7-5-10(6-8-12)13(9-14)15-11-3-2-4-11/h5-8,11,13,15H,2-4,9,14H2,1H3.
What are the key properties of N-cyclobutyl-1-(4-methoxyphenyl)ethane-1,2-diamine?
N-cyclobutyl-1-(4-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-(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 105476319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).