2-bromo-N-(dicyclopropylmethyl)aniline

C13H16BrN — CID 43362785

IUPAC2-bromo-N-(dicyclopropylmethyl)aniline
SMILESBrc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C13H16BrN/c14-11-3-1-2-4-12(11)15-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,15H,5-8H2
InChIKeyUQXHIEFJXPEOQR-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.05
Rot. Bonds4

About 2-bromo-N-(dicyclopropylmethyl)aniline

2-bromo-N-(dicyclopropylmethyl)aniline (PubChem CID 43362785) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-bromo-N-(dicyclopropylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(dicyclopropylmethyl)aniline
PubChem CID43362785
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name2-bromo-N-(dicyclopropylmethyl)aniline
SMILESBrc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C13H16BrN/c14-11-3-1-2-4-12(11)15-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,15H,5-8H2
InChIKeyUQXHIEFJXPEOQR-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-(dicyclopropylmethylamino)benzenecarbothioamide
CID 114882131
2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 54982930
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
N-(2-bromophenyl)-1-cyclopentylethane-1,2-diamine
CID 65385964
2-(2-bromoanilino)-2-cyclohexylacetonitrile
CID 54886899
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
N-(dicyclopropylmethyl)-2-ethylsulfanylaniline
CID 54865167
2-benzyl-N-(dicyclopropylmethyl)aniline
CID 43362769
2-(2-bromoanilino)-2-(thiolan-3-yl)acetic acid
CID 107133026
N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline
CID 43724543
5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline
CID 43555384
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(dicyclopropylmethyl)aniline?
The IUPAC name of 2-bromo-N-(dicyclopropylmethyl)aniline (CID 43362785) is 2-bromo-N-(dicyclopropylmethyl)aniline.
What is the SMILES notation for 2-bromo-N-(dicyclopropylmethyl)aniline?
The canonical SMILES for 2-bromo-N-(dicyclopropylmethyl)aniline is Brc1ccccc1NC(C1CC1)C1CC1.
What is the InChIKey of 2-bromo-N-(dicyclopropylmethyl)aniline?
The InChIKey is UQXHIEFJXPEOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c14-11-3-1-2-4-12(11)15-13(9-5-6-9)10-7-8-10/h1-4,9-10,13,15H,5-8H2.
What are the key properties of 2-bromo-N-(dicyclopropylmethyl)aniline?
2-bromo-N-(dicyclopropylmethyl)aniline has a molecular weight of 266.18 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(dicyclopropylmethyl)aniline is sourced from PubChem (CID 43362785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).