4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline

C12H16BrN — CID 43560330

IUPAC4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCC1CC1
InChIInChI=1S/C12H16BrN/c1-8-5-11(13)6-9(2)12(8)14-7-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyUDVREVCMPFPYKI-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.89
Rot. Bonds3

About 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline

4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline (PubChem CID 43560330) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline
PubChem CID43560330
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCC1CC1
InChIInChI=1S/C12H16BrN/c1-8-5-11(13)6-9(2)12(8)14-7-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyUDVREVCMPFPYKI-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(3,3-difluorocyclopentyl)methyl]-2,6-dimethylaniline
CID 114223728
4-bromo-2,6-dimethyl-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82836352
4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline
CID 66348583
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline
CID 107582312
4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208583
4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
CID 63449070
(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
CID 106931818
N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
CID 103714250
3,5-dimethyl-N-(piperidin-4-ylmethyl)pyridin-4-amine
CID 83837408
4-bromo-2,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 54863650
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline (CID 43560330) is 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NCC1CC1.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline?
The InChIKey is UDVREVCMPFPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-5-11(13)6-9(2)12(8)14-7-10-3-4-10/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline?
4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline has a molecular weight of 254.17 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline is sourced from PubChem (CID 43560330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).