4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline

C14H20BrN — CID 107080392

IUPAC4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline
SMILESCc1cc(CBr)ccc1N(C)C(C)C1CC1
InChIInChI=1S/C14H20BrN/c1-10-8-12(9-15)4-7-14(10)16(3)11(2)13-5-6-13/h4,7-8,11,13H,5-6,9H2,1-3H3
InChIKeyZFRJNXNEIJXNEC-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.12
Rot. Bonds4

About 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline

4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline (PubChem CID 107080392) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline
PubChem CID107080392
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline
SMILESCc1cc(CBr)ccc1N(C)C(C)C1CC1
InChIInChI=1S/C14H20BrN/c1-10-8-12(9-15)4-7-14(10)16(3)11(2)13-5-6-13/h4,7-8,11,13H,5-6,9H2,1-3H3
InChIKeyZFRJNXNEIJXNEC-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-cyclobutyl-N,2-dimethylaniline
CID 107085198
4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde
CID 62120911
4-(bromomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 107084998
2-(bromomethyl)-N-(1-cyclopropylethyl)-N-methyl-4-nitroaniline
CID 107080402
4-(bromomethyl)-N-cyclopropyl-2-fluoro-N-methylaniline
CID 107079857
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 107083438
4-bromo-1-N-(1-cyclopropylethyl)-1-N-methylbenzene-1,2-diamine
CID 43568860
2-chloro-4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N-methylaniline
CID 81148855
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-methyl-2-nitroaniline
CID 43569382
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146
[3-methyl-4-[methyl(propan-2-yl)amino]phenyl]methanol
CID 62121374
4-(bromomethyl)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)aniline
CID 107082263

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline?
The IUPAC name of 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline (CID 107080392) is 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline?
The canonical SMILES for 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline is Cc1cc(CBr)ccc1N(C)C(C)C1CC1.
What is the InChIKey of 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline?
The InChIKey is ZFRJNXNEIJXNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-8-12(9-15)4-7-14(10)16(3)11(2)13-5-6-13/h4,7-8,11,13H,5-6,9H2,1-3H3.
What are the key properties of 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline?
4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline has a molecular weight of 282.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(1-cyclopropylethyl)-N,2-dimethylaniline is sourced from PubChem (CID 107080392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).