1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine

C19H29NO — CID 117464161

IUPAC1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine
SMILESCc1cc(C)c(OCC2CCC2)c(C2(N)CCCCC2)c1
InChIInChI=1S/C19H29NO/c1-14-11-15(2)18(21-13-16-7-6-8-16)17(12-14)19(20)9-4-3-5-10-19/h11-12,16H,3-10,13,20H2,1-2H3
InChIKeyWGJUPAVJGHGJJY-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.60
Rot. Bonds4

About 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine

1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine (PubChem CID 117464161) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine
PubChem CID117464161
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine
SMILESCc1cc(C)c(OCC2CCC2)c(C2(N)CCCCC2)c1
InChIInChI=1S/C19H29NO/c1-14-11-15(2)18(21-13-16-7-6-8-16)17(12-14)19(20)9-4-3-5-10-19/h11-12,16H,3-10,13,20H2,1-2H3
InChIKeyWGJUPAVJGHGJJY-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]cyclohexan-1-amine
CID 117479484
1-[[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropan-1-ol
CID 117405442
1-[2-(cyclopropylmethoxy)-3,4-dimethylphenyl]cyclopropan-1-amine
CID 84794783
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
CID 117402799
5-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]-1H-pyrazol-3-amine
CID 117431564
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine (CID 117464161) is 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine is Cc1cc(C)c(OCC2CCC2)c(C2(N)CCCCC2)c1.
What is the InChIKey of 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine?
The InChIKey is WGJUPAVJGHGJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-11-15(2)18(21-13-16-7-6-8-16)17(12-14)19(20)9-4-3-5-10-19/h11-12,16H,3-10,13,20H2,1-2H3.
What are the key properties of 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine?
1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]cyclohexan-1-amine is sourced from PubChem (CID 117464161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).