1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine

C18H27NO — CID 117436613

IUPAC1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
SMILESCc1ccc(OCC2CCC2)c(C2(N)CCCCC2)c1
InChIInChI=1S/C18H27NO/c1-14-8-9-17(20-13-15-6-5-7-15)16(12-14)18(19)10-3-2-4-11-18/h8-9,12,15H,2-7,10-11,13,19H2,1H3
InChIKeyRINJCRYVCOVDNO-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.29
Rot. Bonds4

About 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine

1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine (PubChem CID 117436613) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
PubChem CID117436613
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
SMILESCc1ccc(OCC2CCC2)c(C2(N)CCCCC2)c1
InChIInChI=1S/C18H27NO/c1-14-8-9-17(20-13-15-6-5-7-15)16(12-14)18(19)10-3-2-4-11-18/h8-9,12,15H,2-7,10-11,13,19H2,1H3
InChIKeyRINJCRYVCOVDNO-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine
CID 117464161
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
CID 117402799
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
2-(cyclohexylmethoxy)-5-methylbenzenecarbothioamide
CID 107929587
1-[4-(cyclobutylmethoxy)-3-fluorophenyl]cyclopentan-1-amine
CID 117413278
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
CID 84787922
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
[1-[2-(cyclobutylmethoxy)-5-fluorophenyl]cyclohexyl]methanamine
CID 117470930
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine (CID 117436613) is 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine is Cc1ccc(OCC2CCC2)c(C2(N)CCCCC2)c1.
What is the InChIKey of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine?
The InChIKey is RINJCRYVCOVDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-8-9-17(20-13-15-6-5-7-15)16(12-14)18(19)10-3-2-4-11-18/h8-9,12,15H,2-7,10-11,13,19H2,1H3.
What are the key properties of 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine?
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine is sourced from PubChem (CID 117436613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).