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

C14H22N2O — CID 80559992

IUPAC1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
SMILESCOc1ccc(C)cc1C(C)NC1CC(N)C1
InChIInChI=1S/C14H22N2O/c1-9-4-5-14(17-3)13(6-9)10(2)16-12-7-11(15)8-12/h4-6,10-12,16H,7-8,15H2,1-3H3
InChIKeyMFYZVKQYWGDGPG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.14
Rot. Bonds4

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

1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine (PubChem CID 80559992) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
PubChem CID80559992
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
SMILESCOc1ccc(C)cc1C(C)NC1CC(N)C1
InChIInChI=1S/C14H22N2O/c1-9-4-5-14(17-3)13(6-9)10(2)16-12-7-11(15)8-12/h4-6,10-12,16H,7-8,15H2,1-3H3
InChIKeyMFYZVKQYWGDGPG-UHFFFAOYSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892474
1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459133
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64760413
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
CID 63663695
1-N-(2-methoxy-5-methylphenyl)cyclobutane-1,3-diamine
CID 80559082
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine (CID 80559992) is 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine is COc1ccc(C)cc1C(C)NC1CC(N)C1.
What is the InChIKey of 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine?
The InChIKey is MFYZVKQYWGDGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-4-5-14(17-3)13(6-9)10(2)16-12-7-11(15)8-12/h4-6,10-12,16H,7-8,15H2,1-3H3.
What are the key properties of 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine?
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80559992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).