3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol

C23H35NO2 — CID 42838432

IUPAC3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
SMILESCCC(C)N(Cc1ccccc1)Cc1ccc(C(O)(C(C)C)C(C)C)o1
InChIInChI=1S/C23H35NO2/c1-7-19(6)24(15-20-11-9-8-10-12-20)16-21-13-14-22(26-21)23(25,17(2)3)18(4)5/h8-14,17-19,25H,7,15-16H2,1-6H3
InChIKeyMAGSLEDBTUIHGZ-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.58
Rot. Bonds9

About 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol

3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol (PubChem CID 42838432) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
PubChem CID42838432
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
SMILESCCC(C)N(Cc1ccccc1)Cc1ccc(C(O)(C(C)C)C(C)C)o1
InChIInChI=1S/C23H35NO2/c1-7-19(6)24(15-20-11-9-8-10-12-20)16-21-13-14-22(26-21)23(25,17(2)3)18(4)5/h8-14,17-19,25H,7,15-16H2,1-6H3
InChIKeyMAGSLEDBTUIHGZ-UHFFFAOYSA-N
XLogP5.58
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol with MolForge

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Related Compounds

3-[5-[[(2-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol
CID 42839275
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
5-[5-[[[(2S)-butan-2-yl]-[(2-methoxyphenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 93187587
3-[5-[[benzyl(furan-2-ylmethyl)amino]methyl]furan-2-yl]pentan-3-ol
CID 46014026
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120897590
N-benzyl-N-[2-(oxiran-2-yl)ethyl]butan-2-amine
CID 131068282
2-[butan-2-yl-[(5-methylfuran-2-yl)methyl]amino]acetic acid
CID 60833890
N-benzyl-N-methylbutan-2-amine
CID 15496809
bis(4-methoxyphenyl)-[5-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanol
CID 46017661
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
benzyl(butan-2-yl)carbamic acid
CID 18954164

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol?
The IUPAC name of 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol (CID 42838432) is 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol?
The canonical SMILES for 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol is CCC(C)N(Cc1ccccc1)Cc1ccc(C(O)(C(C)C)C(C)C)o1.
What is the InChIKey of 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol?
The InChIKey is MAGSLEDBTUIHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-7-19(6)24(15-20-11-9-8-10-12-20)16-21-13-14-22(26-21)23(25,17(2)3)18(4)5/h8-14,17-19,25H,7,15-16H2,1-6H3.
What are the key properties of 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol?
3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol has a molecular weight of 357.54 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[benzyl(butan-2-yl)amino]methyl]furan-2-yl]-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 42838432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).