5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline

C16H23Br2N — CID 107081552

IUPAC5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCC1CCC(N(C)c2cc(Br)ccc2CBr)CC1
InChIInChI=1S/C16H23Br2N/c1-3-12-4-8-15(9-5-12)19(2)16-10-14(18)7-6-13(16)11-17/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3
InChIKeyNWQKYKHKMIHQEM-UHFFFAOYSA-N
MW389.18 g/mol
LogP5.75
Rot. Bonds4

About 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline

5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline (PubChem CID 107081552) has the molecular formula C16H23Br2N and a molecular weight of 389.18 g/mol. Its IUPAC name is 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline.

Molecular Properties

Compound Name5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
PubChem CID107081552
Molecular FormulaC16H23Br2N
Molecular Weight389.18 g/mol
Exact Mass387.02
IUPAC Name5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
SMILESCCC1CCC(N(C)c2cc(Br)ccc2CBr)CC1
InChIInChI=1S/C16H23Br2N/c1-3-12-4-8-15(9-5-12)19(2)16-10-14(18)7-6-13(16)11-17/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3
InChIKeyNWQKYKHKMIHQEM-UHFFFAOYSA-N
XLogP5.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 55.75
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

2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 107082009
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
2-(2-aminopropyl)-5-chloro-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114861531
4-(bromomethyl)-N-(4-ethylcyclohexyl)-2-fluoro-N-methylaniline
CID 107081550
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
4-(aminomethyl)-3-bromo-N-(4-ethylcyclohexyl)-N-methylaniline
CID 107274794
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
5-bromo-2-(bromomethyl)-N-methyl-N-pentan-2-ylaniline
CID 107080465
1-[5-bromo-2-(bromomethyl)phenyl]-4-ethylpiperidine
CID 107081123

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The IUPAC name of 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline (CID 107081552) is 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline.
What is the SMILES notation for 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The canonical SMILES for 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline is CCC1CCC(N(C)c2cc(Br)ccc2CBr)CC1.
What is the InChIKey of 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
The InChIKey is NWQKYKHKMIHQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2N/c1-3-12-4-8-15(9-5-12)19(2)16-10-14(18)7-6-13(16)11-17/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3.
What are the key properties of 5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline?
5-bromo-2-(bromomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline has a molecular weight of 389.18 g/mol, XLogP of 5.75, 4 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-(4-ethylcyclohexyl)-N-methylaniline is sourced from PubChem (CID 107081552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).