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

C14H21NO — CID 79007144

IUPAC(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
SMILESCc1ccc(OCC2CCC2)c([C@H](C)N)c1
InChIInChI=1S/C14H21NO/c1-10-6-7-14(13(8-10)11(2)15)16-9-12-4-3-5-12/h6-8,11-12H,3-5,9,15H2,1-2H3/t11-/m0/s1
InChIKeyJVRJBKMGCUMLSN-NSHDSACASA-N
MW219.33 g/mol
LogP3.19
Rot. Bonds4

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

(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine (PubChem CID 79007144) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
PubChem CID79007144
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
SMILESCc1ccc(OCC2CCC2)c([C@H](C)N)c1
InChIInChI=1S/C14H21NO/c1-10-6-7-14(13(8-10)11(2)15)16-9-12-4-3-5-12/h6-8,11-12H,3-5,9,15H2,1-2H3/t11-/m0/s1
InChIKeyJVRJBKMGCUMLSN-NSHDSACASA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
CID 117376905
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
CID 117402799
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117340664
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine (CID 79007144) is (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine is Cc1ccc(OCC2CCC2)c([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine?
The InChIKey is JVRJBKMGCUMLSN-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-7-14(13(8-10)11(2)15)16-9-12-4-3-5-12/h6-8,11-12H,3-5,9,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine?
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine is sourced from PubChem (CID 79007144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).