(3-cyclobutylphenyl)-thiophen-3-ylmethanamine

C15H17NS — CID 114602570

IUPAC(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
SMILESNC(c1ccsc1)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H17NS/c16-15(14-7-8-17-10-14)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11,15H,1,3-4,16H2
InChIKeyMBAPLOOIHJVLNO-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.06
Rot. Bonds3

About (3-cyclobutylphenyl)-thiophen-3-ylmethanamine

(3-cyclobutylphenyl)-thiophen-3-ylmethanamine (PubChem CID 114602570) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
PubChem CID114602570
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
SMILESNC(c1ccsc1)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H17NS/c16-15(14-7-8-17-10-14)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11,15H,1,3-4,16H2
InChIKeyMBAPLOOIHJVLNO-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
(3-cyclobutylphenyl)-(thiadiazol-4-yl)methanamine
CID 105189528
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
(S)-(3-bromophenyl)-thiophen-3-ylmethanamine
CID 171199224
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (3-cyclobutylphenyl)-thiophen-3-ylmethanamine (CID 114602570) is (3-cyclobutylphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (3-cyclobutylphenyl)-thiophen-3-ylmethanamine is NC(c1ccsc1)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-cyclobutylphenyl)-thiophen-3-ylmethanamine?
The InChIKey is MBAPLOOIHJVLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c16-15(14-7-8-17-10-14)13-6-2-5-12(9-13)11-3-1-4-11/h2,5-11,15H,1,3-4,16H2.
What are the key properties of (3-cyclobutylphenyl)-thiophen-3-ylmethanamine?
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine has a molecular weight of 243.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 114602570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).