3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol

C14H25NO2S — CID 103816323

IUPAC3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C14H25NO2S/c1-14(2,3)13-6-5-12(18-13)9-15-11(7-8-16)10-17-4/h5-6,11,15-16H,7-10H2,1-4H3
InChIKeyBFXGEJJXKIVPBP-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.53
Rot. Bonds7

About 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol

3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol (PubChem CID 103816323) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol
PubChem CID103816323
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C14H25NO2S/c1-14(2,3)13-6-5-12(18-13)9-15-11(7-8-16)10-17-4/h5-6,11,15-16H,7-10H2,1-4H3
InChIKeyBFXGEJJXKIVPBP-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol with MolForge

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Related Compounds

2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol
CID 114078796
(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
CID 103924351
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol
CID 103527358
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzene-1,2-diol
CID 113357879
methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 115907658
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
CID 103390035
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
CID 113243238
3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 106162250
methyl 3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]furan-2-carboxylate
CID 103923151

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol (CID 103816323) is 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol is COCC(CCO)NCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol?
The InChIKey is BFXGEJJXKIVPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-14(2,3)13-6-5-12(18-13)9-15-11(7-8-16)10-17-4/h5-6,11,15-16H,7-10H2,1-4H3.
What are the key properties of 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol?
3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol has a molecular weight of 271.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 103816323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).