2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol

C16H21NOS — CID 82314555

IUPAC2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
SMILESCC(C)C(NCc1ccccc1)C(O)c1cccs1
InChIInChI=1S/C16H21NOS/c1-12(2)15(16(18)14-9-6-10-19-14)17-11-13-7-4-3-5-8-13/h3-10,12,15-18H,11H2,1-2H3
InChIKeySCBLEPKZDTWCFN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.60
Rot. Bonds6

About 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol

2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol (PubChem CID 82314555) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
PubChem CID82314555
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
SMILESCC(C)C(NCc1ccccc1)C(O)c1cccs1
InChIInChI=1S/C16H21NOS/c1-12(2)15(16(18)14-9-6-10-19-14)17-11-13-7-4-3-5-8-13/h3-10,12,15-18H,11H2,1-2H3
InChIKeySCBLEPKZDTWCFN-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol
CID 82314561
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314573
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
2-(benzylamino)-2-thiophen-2-ylacetic acid
CID 61346757
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314559
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]benzenesulfonamide
CID 43760203
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol (CID 82314555) is 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol is CC(C)C(NCc1ccccc1)C(O)c1cccs1.
What is the InChIKey of 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol?
The InChIKey is SCBLEPKZDTWCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(2)15(16(18)14-9-6-10-19-14)17-11-13-7-4-3-5-8-13/h3-10,12,15-18H,11H2,1-2H3.
What are the key properties of 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol?
2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol has a molecular weight of 275.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 82314555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).