3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol

C15H19NOS — CID 78998187

IUPAC3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C15H19NOS/c1-12(9-10-17)16-11-14-7-8-15(18-14)13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3
InChIKeySJYYMNQGLAPOJQ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.28
Rot. Bonds6

About 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol

3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol (PubChem CID 78998187) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
PubChem CID78998187
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C15H19NOS/c1-12(9-10-17)16-11-14-7-8-15(18-14)13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3
InChIKeySJYYMNQGLAPOJQ-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
CID 43223060
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
CID 65047475
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
CID 110292483

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol (CID 78998187) is 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol is CC(CCO)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol?
The InChIKey is SJYYMNQGLAPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12(9-10-17)16-11-14-7-8-15(18-14)13-5-3-2-4-6-13/h2-8,12,16-17H,9-11H2,1H3.
What are the key properties of 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol?
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 78998187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).