(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride

C13H20ClNO — CID 171205660

IUPAC(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cccc([C@H](N)C2CCC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-15-12-8-4-7-11(9-12)13(14)10-5-3-6-10;/h4,7-10,13H,2-3,5-6,14H2,1H3;1H/t13-;/m1./s1
InChIKeyFYLSCVFTPOCZJJ-BTQNPOSSSA-N
MW241.76 g/mol
LogP3.31
Rot. Bonds4

About (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride

(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride (PubChem CID 171205660) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
PubChem CID171205660
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
SMILESCCOc1cccc([C@H](N)C2CCC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-15-12-8-4-7-11(9-12)13(14)10-5-3-6-10;/h4,7-10,13H,2-3,5-6,14H2,1H3;1H/t13-;/m1./s1
InChIKeyFYLSCVFTPOCZJJ-BTQNPOSSSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
(3-ethoxyphenyl)-(thiolan-3-yl)methanamine
CID 105173284
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
CID 116771298
(S)-cyclohexyl-(3-phenoxyphenyl)methanamine;hydrochloride
CID 171220083
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996
(3-ethoxyphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79906907
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride (CID 171205660) is (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride is CCOc1cccc([C@H](N)C2CCC2)c1.Cl.
What is the InChIKey of (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride?
The InChIKey is FYLSCVFTPOCZJJ-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-15-12-8-4-7-11(9-12)13(14)10-5-3-6-10;/h4,7-10,13H,2-3,5-6,14H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride?
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171205660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).