4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline

C18H20BrN — CID 63449062

IUPAC4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H20BrN/c1-12-10-16(19)11-13(2)17(12)20-18(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,15,18,20H,8-9H2,1-2H3
InChIKeyUPKVZFRUQYFTMV-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.63
Rot. Bonds4

About 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline

4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline (PubChem CID 63449062) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline
PubChem CID63449062
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H20BrN/c1-12-10-16(19)11-13(2)17(12)20-18(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,15,18,20H,8-9H2,1-2H3
InChIKeyUPKVZFRUQYFTMV-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 63449370
4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
CID 63449070
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
4-bromo-2-N-[cyclopropyl(phenyl)methyl]benzene-1,2-diamine
CID 135227866
4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 55197692
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
2-bromo-N-[cyclopropyl(phenyl)methyl]-5-fluoroaniline
CID 107633312
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
N-(4-bromo-2-methylphenyl)-2-[[(S)-cyclopropyl(phenyl)methyl]carbamoylamino]acetamide
CID 41285988
N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781974
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-6-fluoroaniline
CID 107598013
N-[cyclopropyl(phenyl)methyl]-2,4,5-trifluoroaniline
CID 62814505

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline (CID 63449062) is 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NC(c1ccccc1)C1CC1.
What is the InChIKey of 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline?
The InChIKey is UPKVZFRUQYFTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-12-10-16(19)11-13(2)17(12)20-18(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,15,18,20H,8-9H2,1-2H3.
What are the key properties of 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline?
4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline has a molecular weight of 330.27 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[cyclopropyl(phenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 63449062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).