[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol

C16H19NO2 — CID 62122235

IUPAC[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H19NO2/c1-12-9-13(11-18)4-7-16(12)17(14-5-6-14)10-15-3-2-8-19-15/h2-4,7-9,14,18H,5-6,10-11H2,1H3
InChIKeySKGHMZMRRRCKDD-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.25
Rot. Bonds5

About [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol

[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol (PubChem CID 62122235) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
PubChem CID62122235
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
SMILESCc1cc(CO)ccc1N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H19NO2/c1-12-9-13(11-18)4-7-16(12)17(14-5-6-14)10-15-3-2-8-19-15/h2-4,7-9,14,18H,5-6,10-11H2,1H3
InChIKeySKGHMZMRRRCKDD-UHFFFAOYSA-N
XLogP3.25
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol?
The IUPAC name of [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol (CID 62122235) is [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol.
What is the SMILES notation for [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol?
The canonical SMILES for [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol is Cc1cc(CO)ccc1N(Cc1ccco1)C1CC1.
What is the InChIKey of [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol?
The InChIKey is SKGHMZMRRRCKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-9-13(11-18)4-7-16(12)17(14-5-6-14)10-15-3-2-8-19-15/h2-4,7-9,14,18H,5-6,10-11H2,1H3.
What are the key properties of [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol?
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol has a molecular weight of 257.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol is sourced from PubChem (CID 62122235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).