2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol

C19H25NO2 — CID 42839343

IUPAC2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol
SMILESCc1ccc(CN(Cc2ccc(C(C)(C)O)o2)C2CC2)cc1
InChIInChI=1S/C19H25NO2/c1-14-4-6-15(7-5-14)12-20(16-8-9-16)13-17-10-11-18(22-17)19(2,3)21/h4-7,10-11,16,21H,8-9,12-13H2,1-3H3
InChIKeyZAYXHTKTSQHPOU-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.98
Rot. Bonds6

About 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol

2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol (PubChem CID 42839343) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol
PubChem CID42839343
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol
SMILESCc1ccc(CN(Cc2ccc(C(C)(C)O)o2)C2CC2)cc1
InChIInChI=1S/C19H25NO2/c1-14-4-6-15(7-5-14)12-20(16-8-9-16)13-17-10-11-18(22-17)19(2,3)21/h4-7,10-11,16,21H,8-9,12-13H2,1-3H3
InChIKeyZAYXHTKTSQHPOU-UHFFFAOYSA-N
XLogP3.98
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol (CID 42839343) is 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol is Cc1ccc(CN(Cc2ccc(C(C)(C)O)o2)C2CC2)cc1.
What is the InChIKey of 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol?
The InChIKey is ZAYXHTKTSQHPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-4-6-15(7-5-14)12-20(16-8-9-16)13-17-10-11-18(22-17)19(2,3)21/h4-7,10-11,16,21H,8-9,12-13H2,1-3H3.
What are the key properties of 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol?
2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol has a molecular weight of 299.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[cyclopropyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]propan-2-ol is sourced from PubChem (CID 42839343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).