1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine

C15H19NS — CID 79008468

IUPAC1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ccsc1
InChIInChI=1S/C15H19NS/c1-2-15(16,11-14-8-9-17-12-14)10-13-6-4-3-5-7-13/h3-9,12H,2,10-11,16H2,1H3
InChIKeyFRZRLQACXGRRAH-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.64
Rot. Bonds5

About 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine

1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine (PubChem CID 79008468) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
PubChem CID79008468
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
SMILESCCC(N)(Cc1ccccc1)Cc1ccsc1
InChIInChI=1S/C15H19NS/c1-2-15(16,11-14-8-9-17-12-14)10-13-6-4-3-5-7-13/h3-9,12H,2,10-11,16H2,1H3
InChIKeyFRZRLQACXGRRAH-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzylhexan-3-amine
CID 79007389
2-methyl-3-(thiophen-3-ylmethyl)pentan-3-amine
CID 62622769
2-benzyl-1-(3,4-dimethylphenyl)butan-2-amine
CID 79007492
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
CID 82920189
3-[2-(bromomethyl)-2-ethylbutyl]thiophene
CID 66050912
2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 63507962
2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79013746
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide
CID 118926035
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-benzyl-1-(3-chloro-4-pyridinyl)butan-2-amine
CID 79014062

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine?
The IUPAC name of 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine (CID 79008468) is 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine?
The canonical SMILES for 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine is CCC(N)(Cc1ccccc1)Cc1ccsc1.
What is the InChIKey of 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine?
The InChIKey is FRZRLQACXGRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-15(16,11-14-8-9-17-12-14)10-13-6-4-3-5-7-13/h3-9,12H,2,10-11,16H2,1H3.
What are the key properties of 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine?
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 79008468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).