4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

C23H24BrClN2 — CID 54336392

IUPAC4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C23H24BrClN2/c1-26(2)19-10-5-16(6-11-19)23(21-15-18(24)9-14-22(21)25)17-7-12-20(13-8-17)27(3)4/h5-15,23H,1-4H3
InChIKeyTVTXQGYVNLMECN-UHFFFAOYSA-N
MW443.82 g/mol
LogP6.41
Rot. Bonds5

About 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (PubChem CID 54336392) has the molecular formula C23H24BrClN2 and a molecular weight of 443.82 g/mol. Its IUPAC name is 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
PubChem CID54336392
Molecular FormulaC23H24BrClN2
Molecular Weight443.82 g/mol
Exact Mass442.08
IUPAC Name4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C23H24BrClN2/c1-26(2)19-10-5-16(6-11-19)23(21-15-18(24)9-14-22(21)25)17-7-12-20(13-8-17)27(3)4/h5-15,23H,1-4H3
InChIKeyTVTXQGYVNLMECN-UHFFFAOYSA-N
XLogP6.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.82
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274
4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105323075
4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
CID 105167442
4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 154612128
4-bromo-1-chloro-2-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55198727
4-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335141
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
4-bromo-2-[bromo-(4-methoxyphenyl)methyl]-1-chlorobenzene
CID 63437208
4-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-N,N-dimethylaniline
CID 166445702
1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 43484397
N-[(5-bromo-2-chlorophenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625398
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (CID 54336392) is 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is TVTXQGYVNLMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrClN2/c1-26(2)19-10-5-16(6-11-19)23(21-15-18(24)9-14-22(21)25)17-7-12-20(13-8-17)27(3)4/h5-15,23H,1-4H3.
What are the key properties of 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 443.82 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 54336392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).