4-(bromomethyl)-2-chloro-N,N-diethylaniline

C11H15BrClN — CID 107078904

IUPAC4-(bromomethyl)-2-chloro-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CBr)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-3-14(4-2)11-6-5-9(8-12)7-10(11)13/h5-7H,3-4,8H2,1-2H3
InChIKeyRQWVBUMOSYEUML-UHFFFAOYSA-N
MW276.61 g/mol
LogP4.08
Rot. Bonds4

About 4-(bromomethyl)-2-chloro-N,N-diethylaniline

4-(bromomethyl)-2-chloro-N,N-diethylaniline (PubChem CID 107078904) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-N,N-diethylaniline.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-N,N-diethylaniline
PubChem CID107078904
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name4-(bromomethyl)-2-chloro-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CBr)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-3-14(4-2)11-6-5-9(8-12)7-10(11)13/h5-7H,3-4,8H2,1-2H3
InChIKeyRQWVBUMOSYEUML-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 54.08
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)-2-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083795
4-(bromomethyl)-2-chloro-N-(2-ethoxyethyl)-N-ethylaniline
CID 107083639
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 107084678
4-(bromomethyl)-2-chloro-N,N-bis(3-methylbutyl)aniline
CID 107870469
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 107081391
N-[4-(bromomethyl)-2-chlorophenyl]-N-ethyl-2,2-dimethylpropanamide
CID 123843144
2-chloro-4-(chloromethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 81152373
2-chloro-N,N-diethyl-4-iodoaniline
CID 107606923
4-(bromomethyl)-N-butyl-2-chloro-N-cyclopropylaniline
CID 107081442
4-(aminomethyl)-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63087010
4-(bromomethyl)-2-chloro-N-(2,2-dimethylpropyl)-N-methylaniline
CID 107082384

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-N,N-diethylaniline?
The IUPAC name of 4-(bromomethyl)-2-chloro-N,N-diethylaniline (CID 107078904) is 4-(bromomethyl)-2-chloro-N,N-diethylaniline.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-N,N-diethylaniline?
The canonical SMILES for 4-(bromomethyl)-2-chloro-N,N-diethylaniline is CCN(CC)c1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chloro-N,N-diethylaniline?
The InChIKey is RQWVBUMOSYEUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-3-14(4-2)11-6-5-9(8-12)7-10(11)13/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-(bromomethyl)-2-chloro-N,N-diethylaniline?
4-(bromomethyl)-2-chloro-N,N-diethylaniline has a molecular weight of 276.61 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-N,N-diethylaniline is sourced from PubChem (CID 107078904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).