3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine

C15H19NS — CID 63085723

IUPAC3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1cccs1
InChIInChI=1S/C15H19NS/c1-15(2,12-7-4-3-5-8-12)14(16)11-13-9-6-10-17-13/h3-10,14H,11,16H2,1-2H3
InChIKeyNNXGBVPGQNLDPF-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.60
Rot. Bonds4

About 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine

3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine (PubChem CID 63085723) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
PubChem CID63085723
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine
SMILESCC(C)(c1ccccc1)C(N)Cc1cccs1
InChIInChI=1S/C15H19NS/c1-15(2,12-7-4-3-5-8-12)14(16)11-13-9-6-10-17-13/h3-10,14H,11,16H2,1-2H3
InChIKeyNNXGBVPGQNLDPF-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1,3-diphenylbutan-2-amine
CID 63086399
3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79824374
(4-methyl-4-phenyl-1-thiophen-2-ylpentan-3-yl)hydrazine
CID 105216322
5,5-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 62604909
N',2-dimethyl-2-phenyl-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 79489657
3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine
CID 79068401
1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65132598
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-methyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-2-phenylpropanal
CID 79489421
3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
CID 83138477

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine (CID 63085723) is 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine is CC(C)(c1ccccc1)C(N)Cc1cccs1.
What is the InChIKey of 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine?
The InChIKey is NNXGBVPGQNLDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-15(2,12-7-4-3-5-8-12)14(16)11-13-9-6-10-17-13/h3-10,14H,11,16H2,1-2H3.
What are the key properties of 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine?
3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63085723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).