N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C23H24F2N2 — CID 7398773

IUPACN-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(Cn2cccc2CN(Cc2c(F)cccc2F)C2CC2)c1
InChIInChI=1S/C23H24F2N2/c1-17-5-2-6-18(13-17)14-26-12-4-7-20(26)15-27(19-10-11-19)16-21-22(24)8-3-9-23(21)25/h2-9,12-13,19H,10-11,14-16H2,1H3
InChIKeyGZBOGKRCUWYCMA-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.29
Rot. Bonds7

About N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 7398773) has the molecular formula C23H24F2N2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID7398773
Molecular FormulaC23H24F2N2
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(Cn2cccc2CN(Cc2c(F)cccc2F)C2CC2)c1
InChIInChI=1S/C23H24F2N2/c1-17-5-2-6-18(13-17)14-26-12-4-7-20(26)15-27(19-10-11-19)16-21-22(24)8-3-9-23(21)25/h2-9,12-13,19H,10-11,14-16H2,1H3
InChIKeyGZBOGKRCUWYCMA-UHFFFAOYSA-N
XLogP5.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 7288626
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 7373189
N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 42795161
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
N-(3-methylbutan-2-yl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanecarboxamide
CID 4221110
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 7201677
N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylcyclobutanecarboxamide
CID 810182
N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 42795125
N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 5126941
N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 4552886
3-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-propan-2-ylurea
CID 5214315
1-[cyclopropyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 42794758

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 7398773) is N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is Cc1cccc(Cn2cccc2CN(Cc2c(F)cccc2F)C2CC2)c1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is GZBOGKRCUWYCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2/c1-17-5-2-6-18(13-17)14-26-12-4-7-20(26)15-27(19-10-11-19)16-21-22(24)8-3-9-23(21)25/h2-9,12-13,19H,10-11,14-16H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 366.46 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 7398773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).