4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline

C15H19Br2N — CID 114061595

IUPAC4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline
SMILESBrCc1cc(Br)ccc1N(CC1CC1)CC1CC1
InChIInChI=1S/C15H19Br2N/c16-8-13-7-14(17)5-6-15(13)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,8-10H2
InChIKeyZISCMNFYQDHYSS-UHFFFAOYSA-N
MW373.13 g/mol
LogP4.97
Rot. Bonds6

About 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline

4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline (PubChem CID 114061595) has the molecular formula C15H19Br2N and a molecular weight of 373.13 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline
PubChem CID114061595
Molecular FormulaC15H19Br2N
Molecular Weight373.13 g/mol
Exact Mass370.99
IUPAC Name4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline
SMILESBrCc1cc(Br)ccc1N(CC1CC1)CC1CC1
InChIInChI=1S/C15H19Br2N/c16-8-13-7-14(17)5-6-15(13)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,8-10H2
InChIKeyZISCMNFYQDHYSS-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.13
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-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 107082009
4-bromo-2-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
CID 114061767
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
2-(1-aminoethyl)-5-bromo-N-(cyclopropylmethyl)-N-ethylaniline
CID 82967886
2-(bromomethyl)-4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)aniline
CID 107084049
4-bromo-2-N-(cyclopropylmethyl)-2-N-propan-2-ylbenzene-1,2-diamine
CID 65342336
4-bromo-1-N-(cyclopropylmethyl)-1-N-methylbenzene-1,2-diamine
CID 60985000
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
2-(2-aminopropyl)-5-bromo-N-(cyclopropylmethyl)-N-methylaniline
CID 55235070
5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107081552
2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline
CID 107399750

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline?
The IUPAC name of 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline (CID 114061595) is 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline?
The canonical SMILES for 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline is BrCc1cc(Br)ccc1N(CC1CC1)CC1CC1.
What is the InChIKey of 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline?
The InChIKey is ZISCMNFYQDHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N/c16-8-13-7-14(17)5-6-15(13)18(9-11-1-2-11)10-12-3-4-12/h5-7,11-12H,1-4,8-10H2.
What are the key properties of 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline?
4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline has a molecular weight of 373.13 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-N,N-bis(cyclopropylmethyl)aniline is sourced from PubChem (CID 114061595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).