4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine

C17H27NO — CID 117408754

IUPAC4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
SMILESCc1cc(CCCCN)c(OCC2CCC2)cc1C
InChIInChI=1S/C17H27NO/c1-13-10-16(8-3-4-9-18)17(11-14(13)2)19-12-15-6-5-7-15/h10-11,15H,3-9,12,18H2,1-2H3
InChIKeyVMMPBFUFJRSVIS-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds7

About 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine

4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine (PubChem CID 117408754) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
PubChem CID117408754
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
SMILESCc1cc(CCCCN)c(OCC2CCC2)cc1C
InChIInChI=1S/C17H27NO/c1-13-10-16(8-3-4-9-18)17(11-14(13)2)19-12-15-6-5-7-15/h10-11,15H,3-9,12,18H2,1-2H3
InChIKeyVMMPBFUFJRSVIS-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile
CID 84792905
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclobutyl]methanamine
CID 117436607
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
4-[3-bromo-5-(cyclobutylmethoxy)phenyl]butan-1-amine
CID 117497336
2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
CID 84686875
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-1,2-oxazol-5-amine
CID 117433886
3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine
CID 170000630

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine?
The IUPAC name of 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine (CID 117408754) is 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine.
What is the SMILES notation for 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine?
The canonical SMILES for 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine is Cc1cc(CCCCN)c(OCC2CCC2)cc1C.
What is the InChIKey of 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine?
The InChIKey is VMMPBFUFJRSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-10-16(8-3-4-9-18)17(11-14(13)2)19-12-15-6-5-7-15/h10-11,15H,3-9,12,18H2,1-2H3.
What are the key properties of 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine?
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine is sourced from PubChem (CID 117408754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).