1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine

C16H25NO2 — CID 103559132

IUPAC1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
SMILESCOc1ccc(C)cc1CC(N)CC1(OC)CCC1
InChIInChI=1S/C16H25NO2/c1-12-5-6-15(18-2)13(9-12)10-14(17)11-16(19-3)7-4-8-16/h5-6,9,14H,4,7-8,10-11,17H2,1-3H3
InChIKeyDRNJBTDUSSKUDF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds6

About 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine

1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine (PubChem CID 103559132) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
PubChem CID103559132
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
SMILESCOc1ccc(C)cc1CC(N)CC1(OC)CCC1
InChIInChI=1S/C16H25NO2/c1-12-5-6-15(18-2)13(9-12)10-14(17)11-16(19-3)7-4-8-16/h5-6,9,14H,4,7-8,10-11,17H2,1-3H3
InChIKeyDRNJBTDUSSKUDF-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559107
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 103560056
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556115
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
1-(furan-2-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559759
2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826565
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556970

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine (CID 103559132) is 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine is COc1ccc(C)cc1CC(N)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine?
The InChIKey is DRNJBTDUSSKUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-5-6-15(18-2)13(9-12)10-14(17)11-16(19-3)7-4-8-16/h5-6,9,14H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine?
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine is sourced from PubChem (CID 103559132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).