2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol

C23H27NOS — CID 22279732

IUPAC2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol
SMILESCC(N)(CO)CCc1ccc(CCc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C23H27NOS/c1-23(24,17-25)16-15-22-14-13-21(26-22)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-11,13-14,25H,9,12,15-17,24H2,1H3
InChIKeySLVVCRLHPASFPJ-UHFFFAOYSA-N
MW365.54 g/mol
LogP4.84
Rot. Bonds8

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

2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol (PubChem CID 22279732) has the molecular formula C23H27NOS and a molecular weight of 365.54 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol
PubChem CID22279732
Molecular FormulaC23H27NOS
Molecular Weight365.54 g/mol
Exact Mass365.18
IUPAC Name2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol
SMILESCC(N)(CO)CCc1ccc(CCc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C23H27NOS/c1-23(24,17-25)16-15-22-14-13-21(26-22)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-11,13-14,25H,9,12,15-17,24H2,1H3
InChIKeySLVVCRLHPASFPJ-UHFFFAOYSA-N
XLogP4.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol
CID 85059232
2-amino-4-[4-(4-butylphenyl)phenyl]-2-methylbutan-1-ol
CID 69430601
2-amino-2-methyl-4-(5-octylthiophen-2-yl)butan-1-ol
CID 139907975
2-amino-2-methyl-4-[5-[(E)-6-phenylhex-1-enyl]thiophen-2-yl]butan-1-ol
CID 10132222
1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-phenylpentan-1-one;(Z)-but-2-enedioic acid
CID 66672517
2-amino-2-methyl-4-[5-[5-(4-methylphenyl)pent-1-ynyl]thiophen-2-yl]butan-1-ol
CID 22279943
(2R)-2-amino-2-methyl-4-[5-(5-phenylpentyl)furan-2-yl]butan-1-ol
CID 66673033
(2R)-2-amino-2-methyl-4-(2-phenyl-1,3-benzoxazol-5-yl)butan-1-ol
CID 58709704
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
(2R)-2-amino-2-methyl-4-[4-[4-(2-propyl-1,3-oxazol-4-yl)phenyl]phenyl]butan-1-ol
CID 162653390
1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-5-(4-methoxyphenyl)pentan-1-one
CID 22279678

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol (CID 22279732) is 2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol is CC(N)(CO)CCc1ccc(CCc2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of 2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol?
The InChIKey is SLVVCRLHPASFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NOS/c1-23(24,17-25)16-15-22-14-13-21(26-22)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19/h2-8,10-11,13-14,25H,9,12,15-17,24H2,1H3.
What are the key properties of 2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol?
2-amino-2-methyl-4-[5-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol has a molecular weight of 365.54 g/mol, XLogP of 4.84, 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-[2-(4-phenylphenyl)ethyl]thiophen-2-yl]butan-1-ol is sourced from PubChem (CID 22279732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).