[4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine

C15H23NO — CID 115039785

IUPAC[4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine
SMILESCC(C)OCC1(c2ccc(CN)cc2)CCC1
InChIInChI=1S/C15H23NO/c1-12(2)17-11-15(8-3-9-15)14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-11,16H2,1-2H3
InChIKeyCYTUINXNUVVQMS-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds5

About [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine

[4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine (PubChem CID 115039785) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine
PubChem CID115039785
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine
SMILESCC(C)OCC1(c2ccc(CN)cc2)CCC1
InChIInChI=1S/C15H23NO/c1-12(2)17-11-15(8-3-9-15)14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-11,16H2,1-2H3
InChIKeyCYTUINXNUVVQMS-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
[1-[4-(2-methoxypropyl)phenyl]cyclohexyl]methanamine
CID 117408640
[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
CID 115039781
1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117371859
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
[1-[4-(3-methoxypropyl)phenyl]cyclobutyl]methanamine
CID 117113157
1-[4-(aminomethyl)phenyl]-N,N-dimethylcyclopropan-1-amine
CID 115018324
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
4-(aminomethyl)-N-propan-2-ylaniline
CID 62103624
1-ethyl-4-[1-[[1-(4-ethylphenyl)cyclopropyl]methoxymethyl]cyclopropyl]benzene
CID 56620627
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852

Frequently Asked Questions

What is the IUPAC name of [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine?
The IUPAC name of [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine (CID 115039785) is [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine?
The canonical SMILES for [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine is CC(C)OCC1(c2ccc(CN)cc2)CCC1.
What is the InChIKey of [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine?
The InChIKey is CYTUINXNUVVQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)17-11-15(8-3-9-15)14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-11,16H2,1-2H3.
What are the key properties of [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine?
[4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(propan-2-yloxymethyl)cyclobutyl]phenyl]methanamine is sourced from PubChem (CID 115039785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).