N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine

C27H27FN2 — CID 7373189

IUPACN-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
SMILESCc1cccc(Cn2cccc2CN(Cc2ccccc2)Cc2ccccc2F)c1
InChIInChI=1S/C27H27FN2/c1-22-9-7-12-24(17-22)19-30-16-8-14-26(30)21-29(18-23-10-3-2-4-11-23)20-25-13-5-6-15-27(25)28/h2-17H,18-21H2,1H3
InChIKeyFCGGMAIZGFRJPG-UHFFFAOYSA-N
MW398.53 g/mol
LogP6.19
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine

N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 7373189) has the molecular formula C27H27FN2 and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
PubChem CID7373189
Molecular FormulaC27H27FN2
Molecular Weight398.53 g/mol
Exact Mass398.22
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
SMILESCc1cccc(Cn2cccc2CN(Cc2ccccc2)Cc2ccccc2F)c1
InChIInChI=1S/C27H27FN2/c1-22-9-7-12-24(17-22)19-30-16-8-14-26(30)21-29(18-23-10-3-2-4-11-23)20-25-13-5-6-15-27(25)28/h2-17H,18-21H2,1H3
InChIKeyFCGGMAIZGFRJPG-UHFFFAOYSA-N
XLogP6.19
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 7201677
1-[benzyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]propan-2-ol
CID 42794741
N-[(2,6-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 7398773
N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 42795101
N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 7296815
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
(E)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-propan-2-ylethenesulfonamide
CID 6307053
N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 4567945
(2R)-1-[benzyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 7409827
N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 7288626
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylacetamide
CID 42764328

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine (CID 7373189) is N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine is Cc1cccc(Cn2cccc2CN(Cc2ccccc2)Cc2ccccc2F)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is FCGGMAIZGFRJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2/c1-22-9-7-12-24(17-22)19-30-16-8-14-26(30)21-29(18-23-10-3-2-4-11-23)20-25-13-5-6-15-27(25)28/h2-17H,18-21H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine?
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 398.53 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 7373189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).