(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine

C15H19FN2 — CID 81351026

IUPAC(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCCn1ccc(CN[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H19FN2/c1-3-18-9-8-13(11-18)10-17-12(2)14-4-6-15(16)7-5-14/h4-9,11-12,17H,3,10H2,1-2H3/t12-/m1/s1
InChIKeyUVUAXBGUJYJNTO-GFCCVEGCSA-N
MW246.33 g/mol
LogP3.50
Rot. Bonds5

About (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81351026) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81351026
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCCn1ccc(CN[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H19FN2/c1-3-18-9-8-13(11-18)10-17-12(2)14-4-6-15(16)7-5-14/h4-9,11-12,17H,3,10H2,1-2H3/t12-/m1/s1
InChIKeyUVUAXBGUJYJNTO-GFCCVEGCSA-N
XLogP3.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 81348106
1-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399983
(1S)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365165
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66414353
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
5-[1-[(1-ethylpyrrol-3-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 66416326
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119
1-(3,4-difluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66400310
1-(1,3-benzodioxol-5-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66413948
3-ethyl-N-[(1-ethylpyrrol-3-yl)methyl]pentan-2-amine
CID 66413834
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine (CID 81351026) is (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine is CCn1ccc(CN[C@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is UVUAXBGUJYJNTO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-18-9-8-13(11-18)10-17-12(2)14-4-6-15(16)7-5-14/h4-9,11-12,17H,3,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 246.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81351026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).