N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine

C28H30N2O — CID 42795101

IUPACN-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
SMILESCOc1cccc(CN(Cc2ccccc2)Cc2cccn2Cc2ccc(C)cc2)c1
InChIInChI=1S/C28H30N2O/c1-23-13-15-25(16-14-23)21-30-17-7-11-27(30)22-29(19-24-8-4-3-5-9-24)20-26-10-6-12-28(18-26)31-2/h3-18H,19-22H2,1-2H3
InChIKeyKXDVGTBJUWOJDM-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.06
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine

N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 42795101) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
PubChem CID42795101
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
SMILESCOc1cccc(CN(Cc2ccccc2)Cc2cccn2Cc2ccc(C)cc2)c1
InChIInChI=1S/C28H30N2O/c1-23-13-15-25(16-14-23)21-30-17-7-11-27(30)22-29(19-24-8-4-3-5-9-24)20-26-10-6-12-28(18-26)31-2/h3-18H,19-22H2,1-2H3
InChIKeyKXDVGTBJUWOJDM-UHFFFAOYSA-N
XLogP6.06
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine with MolForge

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 7331033
3-[[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]methyl]benzonitrile
CID 42795097
N-benzyl-3-methoxy-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3975484
2-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol
CID 42794939
N-[(4-methoxyphenyl)methyl]-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 42795161
N-[(2-fluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 7373189
N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 3550888
N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
CID 4554266
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 5030621
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5219910

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine (CID 42795101) is N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine is COc1cccc(CN(Cc2ccccc2)Cc2cccn2Cc2ccc(C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is KXDVGTBJUWOJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O/c1-23-13-15-25(16-14-23)21-30-17-7-11-27(30)22-29(19-24-8-4-3-5-9-24)20-26-10-6-12-28(18-26)31-2/h3-18H,19-22H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine?
N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 410.56 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 42795101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).