(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol

C15H20FNO — CID 64521778

IUPAC(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(CC2CC2)C2CC2)c(F)c1
InChIInChI=1S/C15H20FNO/c1-10(18)12-4-7-15(14(16)8-12)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3/t10-/m1/s1
InChIKeyIYZHGCZYMUVLAJ-SNVBAGLBSA-N
MW249.33 g/mol
LogP3.26
Rot. Bonds5

About (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol

(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol (PubChem CID 64521778) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
PubChem CID64521778
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(CC2CC2)C2CC2)c(F)c1
InChIInChI=1S/C15H20FNO/c1-10(18)12-4-7-15(14(16)8-12)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3/t10-/m1/s1
InChIKeyIYZHGCZYMUVLAJ-SNVBAGLBSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol (CID 64521778) is (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol is C[C@@H](O)c1ccc(N(CC2CC2)C2CC2)c(F)c1.
What is the InChIKey of (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is IYZHGCZYMUVLAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10(18)12-4-7-15(14(16)8-12)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol?
(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 249.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 64521778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).