(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine

C17H21NS — CID 105053790

IUPAC(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2cccc(C3CCC3)c2)sc1C
InChIInChI=1S/C17H21NS/c1-11-9-16(19-12(11)2)17(18)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-10,13,17H,3,5-6,18H2,1-2H3
InChIKeyHUCMIODXAAFPSG-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.68
Rot. Bonds3

About (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine

(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 105053790) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID105053790
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2cccc(C3CCC3)c2)sc1C
InChIInChI=1S/C17H21NS/c1-11-9-16(19-12(11)2)17(18)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-10,13,17H,3,5-6,18H2,1-2H3
InChIKeyHUCMIODXAAFPSG-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105341956
(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105053621
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
CID 114604613
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine (CID 105053790) is (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C(N)c2cccc(C3CCC3)c2)sc1C.
What is the InChIKey of (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is HUCMIODXAAFPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-11-9-16(19-12(11)2)17(18)15-8-4-7-14(10-15)13-5-3-6-13/h4,7-10,13,17H,3,5-6,18H2,1-2H3.
What are the key properties of (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine?
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 271.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 105053790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).