N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine

C23H25FN2 — CID 42797077

IUPACN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine
SMILESCC(c1ccccc1)N(Cc1cccn1Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H25FN2/c1-18(20-6-3-2-4-7-20)26(22-13-14-22)17-23-8-5-15-25(23)16-19-9-11-21(24)12-10-19/h2-12,15,18,22H,13-14,16-17H2,1H3
InChIKeyHJPSZVCMXITVTM-UHFFFAOYSA-N
MW348.47 g/mol
LogP5.40
Rot. Bonds7

About N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine

N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine (PubChem CID 42797077) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine
PubChem CID42797077
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine
SMILESCC(c1ccccc1)N(Cc1cccn1Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H25FN2/c1-18(20-6-3-2-4-7-20)26(22-13-14-22)17-23-8-5-15-25(23)16-19-9-11-21(24)12-10-19/h2-12,15,18,22H,13-14,16-17H2,1H3
InChIKeyHJPSZVCMXITVTM-UHFFFAOYSA-N
XLogP5.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-1-phenylethanamine
CID 42797081
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
CID 810218
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide
CID 810234
(2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine
CID 93116782
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
CID 3534668
(2R)-1-[cyclopropyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93116154
(2S)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methylbutyl)amino]butan-2-ol
CID 7297443
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
(2R)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(3-methylbutyl)amino]-3-methylbutan-2-ol
CID 7397612
N-cyclohexyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762619
2-[acetyl(2-methylpropyl)amino]-N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 3328550
(E)-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylprop-2-enamide
CID 6272789

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine (CID 42797077) is N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine is CC(c1ccccc1)N(Cc1cccn1Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine?
The InChIKey is HJPSZVCMXITVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2/c1-18(20-6-3-2-4-7-20)26(22-13-14-22)17-23-8-5-15-25(23)16-19-9-11-21(24)12-10-19/h2-12,15,18,22H,13-14,16-17H2,1H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine?
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine has a molecular weight of 348.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(1-phenylethyl)cyclopropanamine is sourced from PubChem (CID 42797077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).