1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine

C12H18N2O — CID 80559082

IUPAC1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
SMILESCOc1ccc(C)cc1NC1CC(N)C1
InChIInChI=1S/C12H18N2O/c1-8-3-4-12(15-2)11(5-8)14-10-6-9(13)7-10/h3-5,9-10,14H,6-7,13H2,1-2H3
InChIKeyCRDMHEGUGUSQDS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.91
Rot. Bonds3

About 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine

1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine (PubChem CID 80559082) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
PubChem CID80559082
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
SMILESCOc1ccc(C)cc1NC1CC(N)C1
InChIInChI=1S/C12H18N2O/c1-8-3-4-12(15-2)11(5-8)14-10-6-9(13)7-10/h3-5,9-10,14H,6-7,13H2,1-2H3
InChIKeyCRDMHEGUGUSQDS-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-aminocyclobutyl)amino]-5-methylbenzoate
CID 80559743
N-(2-methoxy-5-methylphenyl)oxolan-3-amine
CID 63331725
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
1-cyclopropyl-N-(2-methoxy-5-methylphenyl)pyrrolidin-3-amine
CID 55139647
1-N-[2-(difluoromethoxy)-5-methoxyphenyl]cyclobutane-1,3-diamine
CID 80559714
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
CID 79461969
tert-butyl N-[5-[(3-aminocyclobutyl)amino]-2-methoxyphenyl]carbamate
CID 107239640
N-(2-methoxy-5-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072841
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-(3,5-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64723792
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine (CID 80559082) is 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine is COc1ccc(C)cc1NC1CC(N)C1.
What is the InChIKey of 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine?
The InChIKey is CRDMHEGUGUSQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-3-4-12(15-2)11(5-8)14-10-6-9(13)7-10/h3-5,9-10,14H,6-7,13H2,1-2H3.
What are the key properties of 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine?
1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).