1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone

C14H19NO2 — CID 103558404

IUPAC1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2ccc(N)c(C)c2)CCC1
InChIInChI=1S/C14H19NO2/c1-10-8-11(4-5-12(10)15)13(16)9-14(17-2)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyXJKCTRDNWRTZHA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone

1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103558404) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103558404
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)c2ccc(N)c(C)c2)CCC1
InChIInChI=1S/C14H19NO2/c1-10-8-11(4-5-12(10)15)13(16)9-14(17-2)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3
InChIKeyXJKCTRDNWRTZHA-UHFFFAOYSA-N
XLogP2.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 103556021
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
N-(5-amino-4-methyl-2-pyridinyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555420
N-(3-amino-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555368
2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846
4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
CID 103555498
2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 103558920
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
CID 103558841
1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555876
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555901
3-[[2-(1-methoxycyclobutyl)acetyl]amino]-4-methylbenzoic acid
CID 103555485
1-(2-bromo-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555951

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone (CID 103558404) is 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)c2ccc(N)c(C)c2)CCC1.
What is the InChIKey of 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is XJKCTRDNWRTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-8-11(4-5-12(10)15)13(16)9-14(17-2)6-3-7-14/h4-5,8H,3,6-7,9,15H2,1-2H3.
What are the key properties of 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone?
1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103558404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).