4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol

C18H25NOS — CID 106349255

IUPAC4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H25NOS/c1-18(2,3)17(9-10-20)19-12-16-11-15(13-21-16)14-7-5-4-6-8-14/h4-8,11,13,17,19-20H,9-10,12H2,1-3H3
InChIKeyZUGCXRCFQFTBCE-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.30
Rot. Bonds6

About 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol

4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol (PubChem CID 106349255) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol
PubChem CID106349255
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H25NOS/c1-18(2,3)17(9-10-20)19-12-16-11-15(13-21-16)14-7-5-4-6-8-14/h4-8,11,13,17,19-20H,9-10,12H2,1-3H3
InChIKeyZUGCXRCFQFTBCE-UHFFFAOYSA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]butan-2-amine
CID 104827818
2-[(4-phenylthiophen-2-yl)methylamino]propanoic acid
CID 54960058
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
2-methyl-N-[(4-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191416
1-methylsulfanyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 115639875
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
1-(5-methylfuran-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]ethanamine
CID 61017877
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
N-[(4-phenylthiophen-2-yl)methyl]hex-1-yn-3-amine
CID 106227304
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
4-methyl-3-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 103700932
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 61019203

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol (CID 106349255) is 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol is CC(C)(C)C(CCO)NCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol?
The InChIKey is ZUGCXRCFQFTBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-18(2,3)17(9-10-20)19-12-16-11-15(13-21-16)14-7-5-4-6-8-14/h4-8,11,13,17,19-20H,9-10,12H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol?
4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol has a molecular weight of 303.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 106349255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).