(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine

C12H14FN3 — CID 81368803

IUPAC(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ncc[nH]1)c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-9(10-3-2-4-11(13)7-10)16-8-12-14-5-6-15-12/h2-7,9,16H,8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyRBXLURCCRANDAH-SECBINFHSA-N
MW219.26 g/mol
LogP2.40
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine

(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine (PubChem CID 81368803) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
PubChem CID81368803
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ncc[nH]1)c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-9(10-3-2-4-11(13)7-10)16-8-12-14-5-6-15-12/h2-7,9,16H,8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyRBXLURCCRANDAH-SECBINFHSA-N
XLogP2.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 81368969
N-(1H-imidazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 54976562
4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
CID 64547217
(1R)-1-(3-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81369918
(1S)-1-(3-fluorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81364743
1-(3-fluorophenyl)-2-(1H-imidazol-2-yl)ethanamine
CID 43162896
(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911546
1-(3-fluorophenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909354
(1R)-1-(3-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81369930
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 111422085
1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114871866

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine (CID 81368803) is (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine is C[C@@H](NCc1ncc[nH]1)c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine?
The InChIKey is RBXLURCCRANDAH-SECBINFHSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9(10-3-2-4-11(13)7-10)16-8-12-14-5-6-15-12/h2-7,9,16H,8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine?
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81368803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).