5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline

C14H19Br2N — CID 107082009

IUPAC5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(CC1CC1)c1cc(Br)ccc1CBr
InChIInChI=1S/C14H19Br2N/c1-10(2)17(9-11-3-4-11)14-7-13(16)6-5-12(14)8-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyJIFSESVEMBIDQV-UHFFFAOYSA-N
MW361.12 g/mol
LogP4.97
Rot. Bonds5

About 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline

5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline (PubChem CID 107082009) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
PubChem CID107082009
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(CC1CC1)c1cc(Br)ccc1CBr
InChIInChI=1S/C14H19Br2N/c1-10(2)17(9-11-3-4-11)14-7-13(16)6-5-12(14)8-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyJIFSESVEMBIDQV-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 54.97
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

5-bromo-2-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 63550636
4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine
CID 65342336
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline
CID 114061595
5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107081552
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
5-bromo-2-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63541934
5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107081997
5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63553056
5-bromo-2-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82959718
3-bromo-8-N-(cyclopropylmethyl)-8-N-propan-2-ylquinoline-5,8-diamine
CID 106949222
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline?
The IUPAC name of 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline (CID 107082009) is 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline?
The canonical SMILES for 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline is CC(C)N(CC1CC1)c1cc(Br)ccc1CBr.
What is the InChIKey of 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline?
The InChIKey is JIFSESVEMBIDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-10(2)17(9-11-3-4-11)14-7-13(16)6-5-12(14)8-15/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline?
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline has a molecular weight of 361.12 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 107082009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).