[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol

C16H26BrNO — CID 79483470

IUPAC[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
SMILESCCC(CC)N(CC(C)C)c1cc(Br)ccc1CO
InChIInChI=1S/C16H26BrNO/c1-5-15(6-2)18(10-12(3)4)16-9-14(17)8-7-13(16)11-19/h7-9,12,15,19H,5-6,10-11H2,1-4H3
InChIKeyLVCQEZUNFMCFQR-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.59
Rot. Bonds7

About [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol

[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol (PubChem CID 79483470) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
PubChem CID79483470
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
SMILESCCC(CC)N(CC(C)C)c1cc(Br)ccc1CO
InChIInChI=1S/C16H26BrNO/c1-5-15(6-2)18(10-12(3)4)16-9-14(17)8-7-13(16)11-19/h7-9,12,15,19H,5-6,10-11H2,1-4H3
InChIKeyLVCQEZUNFMCFQR-UHFFFAOYSA-N
XLogP4.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 114845738
2-(1-aminoethyl)-5-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 82968396
2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 114889739
5-bromo-2-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63541934
(1R)-1-[3-bromo-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanol
CID 79483552
5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63553056
[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 81152681
[4-bromo-2-[propan-2-yl(thiophen-2-ylmethyl)amino]phenyl]methanol
CID 61452163
2-(bromomethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 107084455
5-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79489379
[4-bromo-2-[1-cyclopropylethyl(methyl)amino]phenyl]methanol
CID 43569351
[4-bromo-2-(N-ethylanilino)phenyl]methanol
CID 43365038

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The IUPAC name of [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol (CID 79483470) is [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The canonical SMILES for [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol is CCC(CC)N(CC(C)C)c1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The InChIKey is LVCQEZUNFMCFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-15(6-2)18(10-12(3)4)16-9-14(17)8-7-13(16)11-19/h7-9,12,15,19H,5-6,10-11H2,1-4H3.
What are the key properties of [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol has a molecular weight of 328.29 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol is sourced from PubChem (CID 79483470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).