4-bromo-N-(dicyclopropylmethyl)-3-methylaniline

C14H18BrN — CID 43362754

IUPAC4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
SMILESCc1cc(NC(C2CC2)C2CC2)ccc1Br
InChIInChI=1S/C14H18BrN/c1-9-8-12(6-7-13(9)15)16-14(10-2-3-10)11-4-5-11/h6-8,10-11,14,16H,2-5H2,1H3
InChIKeyWHKLJPFCVMGKOJ-UHFFFAOYSA-N
MW280.21 g/mol
LogP4.36
Rot. Bonds4

About 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline

4-bromo-N-(dicyclopropylmethyl)-3-methylaniline (PubChem CID 43362754) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
PubChem CID43362754
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
SMILESCc1cc(NC(C2CC2)C2CC2)ccc1Br
InChIInChI=1S/C14H18BrN/c1-9-8-12(6-7-13(9)15)16-14(10-2-3-10)11-4-5-11/h6-8,10-11,14,16H,2-5H2,1H3
InChIKeyWHKLJPFCVMGKOJ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
CID 43680432
4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419168
2-bromo-4-(dicyclopropylmethylamino)benzonitrile
CID 107276087
N-(dicyclopropylmethyl)-4-methyl-3-nitroaniline
CID 43718375
4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
CID 63449070
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
CID 103387117
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
CID 79054393
3-chloro-N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43727182
1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 104994251
4-bromo-N-(3-methoxybutan-2-yl)-3-methylaniline
CID 115917079
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline?
The IUPAC name of 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline (CID 43362754) is 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline.
What is the SMILES notation for 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline?
The canonical SMILES for 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline is Cc1cc(NC(C2CC2)C2CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline?
The InChIKey is WHKLJPFCVMGKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-9-8-12(6-7-13(9)15)16-14(10-2-3-10)11-4-5-11/h6-8,10-11,14,16H,2-5H2,1H3.
What are the key properties of 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline?
4-bromo-N-(dicyclopropylmethyl)-3-methylaniline has a molecular weight of 280.21 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(dicyclopropylmethyl)-3-methylaniline is sourced from PubChem (CID 43362754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).