(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine

C17H21NS — CID 105053637

IUPAC(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H21NS/c1-2-12-9-10-19-17(12)16(18)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-11,13,16H,2-3,5-6,18H2,1H3
InChIKeyLZRMYFMOFURSLW-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.63
Rot. Bonds4

About (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine

(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine (PubChem CID 105053637) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine
PubChem CID105053637
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H21NS/c1-2-12-9-10-19-17(12)16(18)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-11,13,16H,2-3,5-6,18H2,1H3
InChIKeyLZRMYFMOFURSLW-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(2-ethylphenyl)methanamine
CID 105053789
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
[(4-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105338117
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493
(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine (CID 105053637) is (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine is CCc1ccsc1C(N)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine?
The InChIKey is LZRMYFMOFURSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-12-9-10-19-17(12)16(18)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-11,13,16H,2-3,5-6,18H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine?
(3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine has a molecular weight of 271.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(3-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 105053637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).