2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine

C17H25FN2O — CID 26314999

IUPAC2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1
InChIInChI=1S/C17H25FN2O/c1-19(2)11-9-17-14-20(12-13-21-17)10-3-4-15-5-7-16(18)8-6-15/h3-8,17H,9-14H2,1-2H3/b4-3+/t17-/m0/s1
InChIKeySEHGBMWVLYNNSH-IDOMTICXSA-N
MW292.40 g/mol
LogP2.49
Rot. Bonds6

About 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine

2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine (PubChem CID 26314999) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine
PubChem CID26314999
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine
SMILESCN(C)CC[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1
InChIInChI=1S/C17H25FN2O/c1-19(2)11-9-17-14-20(12-13-21-17)10-3-4-15-5-7-16(18)8-6-15/h3-8,17H,9-14H2,1-2H3/b4-3+/t17-/m0/s1
InChIKeySEHGBMWVLYNNSH-IDOMTICXSA-N
XLogP2.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine (CID 26314999) is 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine is CN(C)CC[C@H]1CN(C/C=C/c2ccc(F)cc2)CCO1.
What is the InChIKey of 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine?
The InChIKey is SEHGBMWVLYNNSH-IDOMTICXSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-19(2)11-9-17-14-20(12-13-21-17)10-3-4-15-5-7-16(18)8-6-15/h3-8,17H,9-14H2,1-2H3/b4-3+/t17-/m0/s1.
What are the key properties of 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine?
2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]morpholin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 26314999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).