4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline

C14H21BrN2 — CID 82794328

IUPAC4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline
SMILESCCN(c1ccc(CN)cc1Br)C1CCCC1
InChIInChI=1S/C14H21BrN2/c1-2-17(12-5-3-4-6-12)14-8-7-11(10-16)9-13(14)15/h7-9,12H,2-6,10,16H2,1H3
InChIKeySRBFXSMMVLKUJJ-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.68
Rot. Bonds4

About 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline

4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline (PubChem CID 82794328) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline
PubChem CID82794328
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline
SMILESCCN(c1ccc(CN)cc1Br)C1CCCC1
InChIInChI=1S/C14H21BrN2/c1-2-17(12-5-3-4-6-12)14-8-7-11(10-16)9-13(14)15/h7-9,12H,2-6,10,16H2,1H3
InChIKeySRBFXSMMVLKUJJ-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 114062715
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
CID 78944318
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-methylaniline
CID 60930044
2-bromo-N-cyclopropyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 114062692
4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
CID 63783721
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
4-(aminomethyl)-2-bromo-N-butan-2-yl-N-ethylaniline
CID 82793395
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
3-bromo-4-[cyclopropyl(ethyl)amino]benzonitrile
CID 82797601
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
2-[2-bromo-N-cyclobutyl-4-(methylaminomethyl)anilino]ethanol
CID 114062871

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline (CID 82794328) is 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline is CCN(c1ccc(CN)cc1Br)C1CCCC1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline?
The InChIKey is SRBFXSMMVLKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-17(12-5-3-4-6-12)14-8-7-11(10-16)9-13(14)15/h7-9,12H,2-6,10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline?
4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline has a molecular weight of 297.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline is sourced from PubChem (CID 82794328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).