(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

C15H20FN3 — CID 81365622

IUPAC(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CN[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-7-19-11-17-9-15(19)10-18-12(2)13-5-4-6-14(16)8-13/h4-6,8-9,11-12,18H,3,7,10H2,1-2H3/t12-/m0/s1
InChIKeyHXNGNNHXMUNGJA-LBPRGKRZSA-N
MW261.34 g/mol
LogP3.28
Rot. Bonds6

About (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (PubChem CID 81365622) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
PubChem CID81365622
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CN[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-3-7-19-11-17-9-15(19)10-18-12(2)13-5-4-6-14(16)8-13/h4-6,8-9,11-12,18H,3,7,10H2,1-2H3/t12-/m0/s1
InChIKeyHXNGNNHXMUNGJA-LBPRGKRZSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81369190
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377
1-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 55152900
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 66133621
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376063

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (CID 81365622) is (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is CCCn1cncc1CN[C@@H](C)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The InChIKey is HXNGNNHXMUNGJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-7-19-11-17-9-15(19)10-18-12(2)13-5-4-6-14(16)8-13/h4-6,8-9,11-12,18H,3,7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
(1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81365622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).