N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine

C18H29NO2 — CID 103272972

IUPACN-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESCOc1cccc(COC2(CCNCC(C)C)CCC2)c1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-11-10-18(8-5-9-18)21-14-16-6-4-7-17(12-16)20-3/h4,6-7,12,15,19H,5,8-11,13-14H2,1-3H3
InChIKeyZGJNGYSSBBTDEO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.77
Rot. Bonds9

About N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine

N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine (PubChem CID 103272972) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
PubChem CID103272972
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESCOc1cccc(COC2(CCNCC(C)C)CCC2)c1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-11-10-18(8-5-9-18)21-14-16-6-4-7-17(12-16)20-3/h4,6-7,12,15,19H,5,8-11,13-14H2,1-3H3
InChIKeyZGJNGYSSBBTDEO-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274369
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273388
1-methoxy-3-[[(1R)-2-propan-2-ylcyclopentyl]oxymethyl]benzene
CID 59459056
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene
CID 63468796
1-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carbaldehyde
CID 10586534
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
CID 83046234

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine (CID 103272972) is N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine is COc1cccc(COC2(CCNCC(C)C)CCC2)c1.
What is the InChIKey of N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The InChIKey is ZGJNGYSSBBTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)13-19-11-10-18(8-5-9-18)21-14-16-6-4-7-17(12-16)20-3/h4,6-7,12,15,19H,5,8-11,13-14H2,1-3H3.
What are the key properties of N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103272972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).