N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline

C18H21Br2NO — CID 126126469

IUPACN-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline
SMILESCCCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C
InChIInChI=1S/C18H21Br2NO/c1-4-8-22-18-14(9-15(19)10-16(18)20)11-21-17-7-5-6-12(2)13(17)3/h5-7,9-10,21H,4,8,11H2,1-3H3
InChIKeyRZMPPOUWBZJTGJ-UHFFFAOYSA-N
MW427.18 g/mol
LogP6.23
Rot. Bonds6

About N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline

N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline (PubChem CID 126126469) has the molecular formula C18H21Br2NO and a molecular weight of 427.18 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline
PubChem CID126126469
Molecular FormulaC18H21Br2NO
Molecular Weight427.18 g/mol
Exact Mass425.00
IUPAC NameN-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline
SMILESCCCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C
InChIInChI=1S/C18H21Br2NO/c1-4-8-22-18-14(9-15(19)10-16(18)20)11-21-17-7-5-6-12(2)13(17)3/h5-7,9-10,21H,4,8,11H2,1-3H3
InChIKeyRZMPPOUWBZJTGJ-UHFFFAOYSA-N
XLogP6.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.18
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126125357
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol
CID 126128843
N-[[3,5-dibromo-2-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126124844
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
CID 43766070
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
CID 29225012
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126123491
1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214465
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
N-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methyl]-2,3-dimethylaniline
CID 126122897

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline?
The IUPAC name of N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline (CID 126126469) is N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline is CCCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C.
What is the InChIKey of N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline?
The InChIKey is RZMPPOUWBZJTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2NO/c1-4-8-22-18-14(9-15(19)10-16(18)20)11-21-17-7-5-6-12(2)13(17)3/h5-7,9-10,21H,4,8,11H2,1-3H3.
What are the key properties of N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline?
N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline has a molecular weight of 427.18 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline is sourced from PubChem (CID 126126469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).