[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine

C17H25NO — CID 117402976

IUPAC[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(OC3CCC3)cc2)CCCCC1
InChIInChI=1S/C17H25NO/c18-13-17(11-2-1-3-12-17)14-7-9-16(10-8-14)19-15-5-4-6-15/h7-10,15H,1-6,11-13,18H2
InChIKeySFPQFBKCMAJIFL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds4

About [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine

[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine (PubChem CID 117402976) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
PubChem CID117402976
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(OC3CCC3)cc2)CCCCC1
InChIInChI=1S/C17H25NO/c18-13-17(11-2-1-3-12-17)14-7-9-16(10-8-14)19-15-5-4-6-15/h7-10,15H,1-6,11-13,18H2
InChIKeySFPQFBKCMAJIFL-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117408251
[1-[4-(thiolan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117470986
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
1-(4-cyclopentyloxyphenyl)cyclopentan-1-amine
CID 82294898
[1-[4-(difluoromethoxy)phenyl]cycloheptyl]methanamine
CID 28937862
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
CID 117467815
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-[4-(2-methylprop-2-enoxy)phenyl]cyclohexyl]methanamine
CID 117402969
[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine
CID 117441232

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine (CID 117402976) is [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine is NCC1(c2ccc(OC3CCC3)cc2)CCCCC1.
What is the InChIKey of [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine?
The InChIKey is SFPQFBKCMAJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-13-17(11-2-1-3-12-17)14-7-9-16(10-8-14)19-15-5-4-6-15/h7-10,15H,1-6,11-13,18H2.
What are the key properties of [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine?
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117402976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).