[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine

C16H23NO2 — CID 117408013

IUPAC[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)ccc1OCC1CC1
InChIInChI=1S/C16H23NO2/c1-18-15-9-13(16(11-17)7-2-8-16)5-6-14(15)19-10-12-3-4-12/h5-6,9,12H,2-4,7-8,10-11,17H2,1H3
InChIKeyBVAIXXNEVBSZCE-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.86
Rot. Bonds6

About [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine

[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine (PubChem CID 117408013) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
PubChem CID117408013
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
SMILESCOc1cc(C2(CN)CCC2)ccc1OCC1CC1
InChIInChI=1S/C16H23NO2/c1-18-15-9-13(16(11-17)7-2-8-16)5-6-14(15)19-10-12-3-4-12/h5-6,9,12H,2-4,7-8,10-11,17H2,1H3
InChIKeyBVAIXXNEVBSZCE-UHFFFAOYSA-N
XLogP2.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclobutyl]methanamine
CID 117470732
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
CID 117436607
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
[4-(3,4-dimethoxyphenyl)oxan-4-yl]methanamine;hydrochloride
CID 2852629
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381

Frequently Asked Questions

What is the IUPAC name of [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine (CID 117408013) is [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine is COc1cc(C2(CN)CCC2)ccc1OCC1CC1.
What is the InChIKey of [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine?
The InChIKey is BVAIXXNEVBSZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-9-13(16(11-17)7-2-8-16)5-6-14(15)19-10-12-3-4-12/h5-6,9,12H,2-4,7-8,10-11,17H2,1H3.
What are the key properties of [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine?
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine has a molecular weight of 261.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117408013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).