2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol

C19H25NOS — CID 85059232

IUPAC2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol
SMILESCC(N)(CO)CCc1ccc(C=CCCc2ccccc2)s1
InChIInChI=1S/C19H25NOS/c1-19(20,15-21)14-13-18-12-11-17(22-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,6-8,10-12,21H,5,9,13-15,20H2,1H3
InChIKeyVYJKNDDYLZJKAO-UHFFFAOYSA-N
MW315.48 g/mol
LogP4.04
Rot. Bonds8

About 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol

2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol (PubChem CID 85059232) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol
PubChem CID85059232
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol
SMILESCC(N)(CO)CCc1ccc(C=CCCc2ccccc2)s1
InChIInChI=1S/C19H25NOS/c1-19(20,15-21)14-13-18-12-11-17(22-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,6-8,10-12,21H,5,9,13-15,20H2,1H3
InChIKeyVYJKNDDYLZJKAO-UHFFFAOYSA-N
XLogP4.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-[5-[(E)-6-phenylhex-1-enyl]thiophen-2-yl]butan-1-ol
CID 10132222
2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol
CID 22279732
1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-phenylpentan-1-one;(Z)-but-2-enedioic acid
CID 66672517
(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol
CID 66673033
(2R)-2-amino-2-methyl-4-[1-methyl-5-(5-phenylpentyl)pyrrol-2-yl]butan-1-ol
CID 66672809
2-amino-2-methyl-4-(5-octylthiophen-2-yl)butan-1-ol
CID 139907975
[5-(4-aminobut-1-enyl)thiophen-2-yl]methanol
CID 170486431
pent-3-enylbenzene
CID 519421
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene
CID 88505006
1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]furan-2-yl]-5-phenylpentan-1-one
CID 66672941
[(Z)-4-[(2-methylpropan-2-yl)oxy]but-3-enyl]benzene
CID 134879348

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol (CID 85059232) is 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol is CC(N)(CO)CCc1ccc(C=CCCc2ccccc2)s1.
What is the InChIKey of 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol?
The InChIKey is VYJKNDDYLZJKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-19(20,15-21)14-13-18-12-11-17(22-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,6-8,10-12,21H,5,9,13-15,20H2,1H3.
What are the key properties of 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol?
2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol has a molecular weight of 315.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol is sourced from PubChem (CID 85059232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).