3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine

C20H29NO3S — CID 19865618

IUPAC3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCCCCc1ccc(S(=O)C(CCN(C)C)c2ccccc2OC)o1
InChIInChI=1S/C20H29NO3S/c1-5-6-9-16-12-13-20(24-16)25(22)19(14-15-21(2)3)17-10-7-8-11-18(17)23-4/h7-8,10-13,19H,5-6,9,14-15H2,1-4H3
InChIKeyPOHFCQNBTXPHKD-UHFFFAOYSA-N
MW363.52 g/mol
LogP4.43
Rot. Bonds10

About 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine

3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 19865618) has the molecular formula C20H29NO3S and a molecular weight of 363.52 g/mol. Its IUPAC name is 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine
PubChem CID19865618
Molecular FormulaC20H29NO3S
Molecular Weight363.52 g/mol
Exact Mass363.19
IUPAC Name3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCCCCc1ccc(S(=O)C(CCN(C)C)c2ccccc2OC)o1
InChIInChI=1S/C20H29NO3S/c1-5-6-9-16-12-13-20(24-16)25(22)19(14-15-21(2)3)17-10-7-8-11-18(17)23-4/h7-8,10-13,19H,5-6,9,14-15H2,1-4H3
InChIKeyPOHFCQNBTXPHKD-UHFFFAOYSA-N
XLogP4.43
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84746496
1-[bromo-(4-butylphenyl)methyl]-2-methoxybenzene
CID 63440181
3-(benzenesulfinyl)-3-(2-chlorothiophen-3-yl)-N,N-dimethylpropan-1-amine
CID 19865615
1-(1-ethoxypentyl)-2-methoxybenzene
CID 141341766
2-(2-methoxyphenyl)hexan-1-amine
CID 84753039
1-(2,6-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 116810226
2-butyl-7-methoxycyclohepta-2,4,6-trien-1-one
CID 162445839
3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963960
4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
2-butyl-1,3-dimethoxybenzene
CID 524840

Frequently Asked Questions

What is the IUPAC name of 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine (CID 19865618) is 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine is CCCCc1ccc(S(=O)C(CCN(C)C)c2ccccc2OC)o1.
What is the InChIKey of 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is POHFCQNBTXPHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3S/c1-5-6-9-16-12-13-20(24-16)25(22)19(14-15-21(2)3)17-10-7-8-11-18(17)23-4/h7-8,10-13,19H,5-6,9,14-15H2,1-4H3.
What are the key properties of 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine?
3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 363.52 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylfuran-2-yl)sulfinyl-3-(2-methoxyphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 19865618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).