1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine

C26H25BrN2 — CID 157144453

IUPAC1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CN(C)C)c1
InChIInChI=1S/C26H25BrN2/c1-19-7-4-5-10-24(19)29-25(21-11-13-23(27)14-12-21)15-16-26(29)22-9-6-8-20(17-22)18-28(2)3/h4-17H,18H2,1-3H3
InChIKeyAKNZHKYOLITIPP-UHFFFAOYSA-N
MW445.40 g/mol
LogP6.94
Rot. Bonds5

About 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine

1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 157144453) has the molecular formula C26H25BrN2 and a molecular weight of 445.40 g/mol. Its IUPAC name is 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID157144453
Molecular FormulaC26H25BrN2
Molecular Weight445.40 g/mol
Exact Mass444.12
IUPAC Name1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine
SMILESCc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CN(C)C)c1
InChIInChI=1S/C26H25BrN2/c1-19-7-4-5-10-24(19)29-25(21-11-13-23(27)14-12-21)15-16-26(29)22-9-6-8-20(17-22)18-28(2)3/h4-17H,18H2,1-3H3
InChIKeyAKNZHKYOLITIPP-UHFFFAOYSA-N
XLogP6.94
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.40
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 158154455
[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]methyl methanesulfonate
CID 161371303
4-[5-(4-bromophenyl)-1-[2-[(dimethylamino)methyl]phenyl]pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 142461445
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
3-[(3-bromophenyl)methylsulfanyl]-5-methyl-4-(2-methylphenyl)-1,2,4-triazole
CID 41425745
(6S)-6-[[3-(4-bromophenyl)phenyl]methyl-methylamino]-2-(3,5-dichlorophenyl)-1-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one
CID 91933260
4-[5-(4-bromophenyl)-1-[2-(methoxymethyl)phenyl]pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 142461493
lithium;2-bromo-1-(4-bromophenyl)ethanone;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoic acid;3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide;N',N'-dimethylethane-1,2-diamine;methyl 3-acetylbenzoate;methyl 3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]benzoate;methyl 3-[4-(4-bromophenyl)-4-oxobutanoyl]benzoate;2-(trifluoromethyl)aniline;hydroxide
CID 157443542
1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
CID 82540027
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine (CID 157144453) is 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine is Cc1ccccc1-n1c(-c2ccc(Br)cc2)ccc1-c1cccc(CN(C)C)c1.
What is the InChIKey of 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is AKNZHKYOLITIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN2/c1-19-7-4-5-10-24(19)29-25(21-11-13-23(27)14-12-21)15-16-26(29)22-9-6-8-20(17-22)18-28(2)3/h4-17H,18H2,1-3H3.
What are the key properties of 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine?
1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 445.40 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-bromophenyl)-1-(2-methylphenyl)pyrrol-2-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 157144453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).