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

C16H25BrN2 — CID 107573260

IUPACN-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline
SMILESCCC1CCCC1(CN)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H25BrN2/c1-4-13-6-5-7-16(13,10-18)19-14-8-11(2)15(17)12(3)9-14/h8-9,13,19H,4-7,10,18H2,1-3H3
InChIKeyXGZOPCVKGWGTFP-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.39
Rot. Bonds4

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

N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline (PubChem CID 107573260) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline
PubChem CID107573260
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline
SMILESCCC1CCCC1(CN)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H25BrN2/c1-4-13-6-5-7-16(13,10-18)19-14-8-11(2)15(17)12(3)9-14/h8-9,13,19H,4-7,10,18H2,1-3H3
InChIKeyXGZOPCVKGWGTFP-UHFFFAOYSA-N
XLogP4.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline
CID 107573250
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
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
CID 65376853
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
CID 107573280
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408
[2-[[1-(aminomethyl)-2-ethylcyclopentyl]amino]cyclohexyl]methanol
CID 114178587
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
4-bromo-3,5-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)aniline
CID 107573556
2-N-(4-bromo-3,5-dimethylphenyl)-2-(methoxymethyl)butane-1,2-diamine
CID 107573287
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline?
The IUPAC name of N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline (CID 107573260) is N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline is CCC1CCCC1(CN)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline?
The InChIKey is XGZOPCVKGWGTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-4-13-6-5-7-16(13,10-18)19-14-8-11(2)15(17)12(3)9-14/h8-9,13,19H,4-7,10,18H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline?
N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline has a molecular weight of 325.29 g/mol, XLogP of 4.39, 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-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline is sourced from PubChem (CID 107573260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).