N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline

C17H27BrN2 — CID 107573250

IUPACN-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline
SMILESCCC1CCCCC1(CN)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H27BrN2/c1-4-14-7-5-6-8-17(14,11-19)20-15-9-12(2)16(18)13(3)10-15/h9-10,14,20H,4-8,11,19H2,1-3H3
InChIKeyVIMIPZUYLXOOAL-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.78
Rot. Bonds4

About N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline

N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline (PubChem CID 107573250) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline
PubChem CID107573250
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline
SMILESCCC1CCCCC1(CN)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C17H27BrN2/c1-4-14-7-5-6-8-17(14,11-19)20-15-9-12(2)16(18)13(3)10-15/h9-10,14,20H,4-8,11,19H2,1-3H3
InChIKeyVIMIPZUYLXOOAL-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline
CID 107573260
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
CID 107573083
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
CID 107573280
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
CID 65376853
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292
2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide
CID 79055143
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408
[2-[[1-(aminomethyl)-2-ethylcyclopentyl]amino]cyclohexyl]methanol
CID 114178587
N-[1-(aminomethyl)-2-methoxycyclohexyl]aniline
CID 106872574
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
CID 107571840

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline?
The IUPAC name of N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline (CID 107573250) is N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline is CCC1CCCCC1(CN)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline?
The InChIKey is VIMIPZUYLXOOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-14-7-5-6-8-17(14,11-19)20-15-9-12(2)16(18)13(3)10-15/h9-10,14,20H,4-8,11,19H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline?
N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline has a molecular weight of 339.32 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline is sourced from PubChem (CID 107573250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).