N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

C12H15FN2 — CID 4637442

IUPACN-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(NC1=NCCC1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2/c1-9(15-12-3-2-8-14-12)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChIKeyMNEVCGXNOOAFPU-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.67
Rot. Bonds2

About N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 4637442) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID4637442
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(NC1=NCCC1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2/c1-9(15-12-3-2-8-14-12)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,14,15)
InChIKeyMNEVCGXNOOAFPU-UHFFFAOYSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6048
Tolazoline
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Phenyzoline
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2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
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2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
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2-Phenyl-1,4,5,6-tetrahydropyrimidine
CID 408156
1H-Imidazole, 4,5-dihydro-5-methyl-2-phenyl-
CID 70319
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
CID 81501
CID 44419881
CID 44419881
1H-Imidazole, 4,5-dihydro-2-(2-methylphenyl)-
CID 10057802
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole
CID 10374995

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 4637442) is N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is CC(NC1=NCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is MNEVCGXNOOAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-9(15-12-3-2-8-14-12)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8H2,1H3,(H,14,15).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 206.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 4637442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).