1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine

C15H23NO — CID 65459310

IUPAC1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCC2CCC2)c1
InChIInChI=1S/C15H23NO/c1-2-14(16)9-13-7-4-8-15(10-13)17-11-12-5-3-6-12/h4,7-8,10,12,14H,2-3,5-6,9,11,16H2,1H3
InChIKeyLVLYMFREUPQDTI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.15
Rot. Bonds6

About 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine

1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine (PubChem CID 65459310) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
PubChem CID65459310
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCC2CCC2)c1
InChIInChI=1S/C15H23NO/c1-2-14(16)9-13-7-4-8-15(10-13)17-11-12-5-3-6-12/h4,7-8,10,12,14H,2-3,5-6,9,11,16H2,1H3
InChIKeyLVLYMFREUPQDTI-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
1-[4-(cyclobutylmethoxy)phenyl]butan-2-amine
CID 65459298
(2S)-1-[3-(cyclopentylmethoxy)phenyl]butan-2-ol
CID 69097479
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
1-[3-benzyl-4-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170890609
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
1-[5-(cyclobutylmethoxy)-2-pyridinyl]butan-2-amine
CID 79795847
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
CID 54929170

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine (CID 65459310) is 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(OCC2CCC2)c1.
What is the InChIKey of 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine?
The InChIKey is LVLYMFREUPQDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-14(16)9-13-7-4-8-15(10-13)17-11-12-5-3-6-12/h4,7-8,10,12,14H,2-3,5-6,9,11,16H2,1H3.
What are the key properties of 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine?
1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 65459310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).