1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine

C16H21NS — CID 43104997

IUPAC1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
SMILESCCc1ccc(C(N)C(CC)c2ccccc2)s1
InChIInChI=1S/C16H21NS/c1-3-13-10-11-15(18-13)16(17)14(4-2)12-8-6-5-7-9-12/h5-11,14,16H,3-4,17H2,1-2H3
InChIKeyYPYIMSKDQDCHGM-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.50
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine

1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine (PubChem CID 43104997) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
PubChem CID43104997
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
SMILESCCc1ccc(C(N)C(CC)c2ccccc2)s1
InChIInChI=1S/C16H21NS/c1-3-13-10-11-15(18-13)16(17)14(4-2)12-8-6-5-7-9-12/h5-11,14,16H,3-4,17H2,1-2H3
InChIKeyYPYIMSKDQDCHGM-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzhydryl-5-ethylthiophene
CID 177490577
[(5-ethylthiophen-2-yl)-phenylmethyl]hydrazine
CID 105282884
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylpropan-1-amine
CID 66446223
3-methyl-5-phenylheptan-4-amine
CID 105017445
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853891
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
2-(1-chloro-2-phenylethyl)-5-ethylthiophene
CID 63430993

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine (CID 43104997) is 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine is CCc1ccc(C(N)C(CC)c2ccccc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine?
The InChIKey is YPYIMSKDQDCHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-13-10-11-15(18-13)16(17)14(4-2)12-8-6-5-7-9-12/h5-11,14,16H,3-4,17H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine?
1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 43104997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).