1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine

C17H25NO — CID 117402799

IUPAC1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
SMILESCc1ccc(OCC2CCC2)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C17H25NO/c1-12-6-7-16(19-11-14-4-3-5-14)15(10-12)17(8-9-17)13(2)18/h6-7,10,13-14H,3-5,8-9,11,18H2,1-2H3
InChIKeyRNFRRAXZIGGFQJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.55
Rot. Bonds5

About 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine

1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine (PubChem CID 117402799) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
PubChem CID117402799
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
SMILESCc1ccc(OCC2CCC2)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C17H25NO/c1-12-6-7-16(19-11-14-4-3-5-14)15(10-12)17(8-9-17)13(2)18/h6-7,10,13-14H,3-5,8-9,11,18H2,1-2H3
InChIKeyRNFRRAXZIGGFQJ-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117495028
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
2-(cyclopentylmethoxy)-5-methylbenzonitrile
CID 107928225
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
2-(cyclohexylmethoxy)-5-methylbenzenecarbothioamide
CID 107929587
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine (CID 117402799) is 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine is Cc1ccc(OCC2CCC2)c(C2(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine?
The InChIKey is RNFRRAXZIGGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-6-7-16(19-11-14-4-3-5-14)15(10-12)17(8-9-17)13(2)18/h6-7,10,13-14H,3-5,8-9,11,18H2,1-2H3.
What are the key properties of 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine?
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117402799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).