(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol

C17H24FNO — CID 63682288

IUPAC(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)CC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C17H24FNO/c1-11(20)13-5-6-17(16(18)9-13)19(2)10-15-8-12-3-4-14(15)7-12/h5-6,9,11-12,14-15,20H,3-4,7-8,10H2,1-2H3/t11-,12?,14?,15?/m0/s1
InChIKeyUQKJFUQRUNDORU-DGHYUSQUSA-N
MW277.38 g/mol
LogP3.75
Rot. Bonds4

About (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol

(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol (PubChem CID 63682288) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
PubChem CID63682288
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)CC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C17H24FNO/c1-11(20)13-5-6-17(16(18)9-13)19(2)10-15-8-12-3-4-14(15)7-12/h5-6,9,11-12,14-15,20H,3-4,7-8,10H2,1-2H3/t11-,12?,14?,15?/m0/s1
InChIKeyUQKJFUQRUNDORU-DGHYUSQUSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.75
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 (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol (CID 63682288) is (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol is C[C@H](O)c1ccc(N(C)CC2CC3CCC2C3)c(F)c1.
What is the InChIKey of (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is UQKJFUQRUNDORU-DGHYUSQUSA-N. The full InChI is InChI=1S/C17H24FNO/c1-11(20)13-5-6-17(16(18)9-13)19(2)10-15-8-12-3-4-14(15)7-12/h5-6,9,11-12,14-15,20H,3-4,7-8,10H2,1-2H3/t11-,12?,14?,15?/m0/s1.
What are the key properties of (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol?
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 277.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 63682288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).