2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline

C16H27BrN2 — CID 114889739

IUPAC2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CC(C)C)c1ccc(Br)cc1CN
InChIInChI=1S/C16H27BrN2/c1-5-15(6-2)19(11-12(3)4)16-8-7-14(17)9-13(16)10-18/h7-9,12,15H,5-6,10-11,18H2,1-4H3
InChIKeyLHEASHOGWVBOIF-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.56
Rot. Bonds7

About 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline

2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline (PubChem CID 114889739) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
PubChem CID114889739
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC Name2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CC(C)C)c1ccc(Br)cc1CN
InChIInChI=1S/C16H27BrN2/c1-5-15(6-2)19(11-12(3)4)16-8-7-14(17)9-13(16)10-18/h7-9,12,15H,5-6,10-11,18H2,1-4H3
InChIKeyLHEASHOGWVBOIF-UHFFFAOYSA-N
XLogP4.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 79483470
2-(1-aminoethyl)-5-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 82968396
2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
CID 114889459
2-(bromomethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 107084455
2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79489813
(1R)-1-[3-bromo-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanol
CID 79483552
5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79489379
2-(chloromethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79483553
2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 114889558
2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline
CID 114061936
2-(aminomethyl)-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 114889562
4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79484228

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline (CID 114889739) is 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline is CCC(CC)N(CC(C)C)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The InChIKey is LHEASHOGWVBOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-5-15(6-2)19(11-12(3)4)16-8-7-14(17)9-13(16)10-18/h7-9,12,15H,5-6,10-11,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline?
2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline has a molecular weight of 327.31 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline is sourced from PubChem (CID 114889739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).