[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol

C14H19F2NO — CID 63076878

IUPAC[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol
SMILESCC(C)CN(c1c(F)cc(CO)cc1F)C1CC1
InChIInChI=1S/C14H19F2NO/c1-9(2)7-17(11-3-4-11)14-12(15)5-10(8-18)6-13(14)16/h5-6,9,11,18H,3-4,7-8H2,1-2H3
InChIKeyZTFISGGRMMJAHS-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.08
Rot. Bonds5

About [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol

[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol (PubChem CID 63076878) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol
PubChem CID63076878
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol
SMILESCC(C)CN(c1c(F)cc(CO)cc1F)C1CC1
InChIInChI=1S/C14H19F2NO/c1-9(2)7-17(11-3-4-11)14-12(15)5-10(8-18)6-13(14)16/h5-6,9,11,18H,3-4,7-8H2,1-2H3
InChIKeyZTFISGGRMMJAHS-UHFFFAOYSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[4-(4-Methylpiperazin-1-yl)phenyl]methanol
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CID 11062741
[4-(Dimethylamino)-3-fluorophenyl]methanol
CID 33788166
[4-(4-Methyl-1,4-diazepan-1-yl)phenyl]methanol
CID 18525904
4-(Hydroxymethyl)-N,N,N-trimethylanilinium iodide
CID 46966
[4-[Ethyl-[(4-fluorophenyl)methyl]amino]-2-methylphenyl]methanol
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[4-[Ethyl-[(4-fluorophenyl)methyl]amino]-2-fluorophenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol?
The IUPAC name of [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol (CID 63076878) is [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol is CC(C)CN(c1c(F)cc(CO)cc1F)C1CC1.
What is the InChIKey of [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol?
The InChIKey is ZTFISGGRMMJAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)7-17(11-3-4-11)14-12(15)5-10(8-18)6-13(14)16/h5-6,9,11,18H,3-4,7-8H2,1-2H3.
What are the key properties of [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol?
[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol has a molecular weight of 255.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63076878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).