[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine

C18H22BrNO — CID 28981703

IUPAC[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine
SMILESCC(C)(C)c1ccc(COc2ccc(Br)cc2CN)cc1
InChIInChI=1S/C18H22BrNO/c1-18(2,3)15-6-4-13(5-7-15)12-21-17-9-8-16(19)10-14(17)11-20/h4-10H,11-12,20H2,1-3H3
InChIKeyHNTSLQJXHRFRIF-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.78
Rot. Bonds4

About [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine

[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine (PubChem CID 28981703) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine
PubChem CID28981703
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine
SMILESCC(C)(C)c1ccc(COc2ccc(Br)cc2CN)cc1
InChIInChI=1S/C18H22BrNO/c1-18(2,3)15-6-4-13(5-7-15)12-21-17-9-8-16(19)10-14(17)11-20/h4-10H,11-12,20H2,1-3H3
InChIKeyHNTSLQJXHRFRIF-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
4-bromo-1-[(4-tert-butylphenyl)methoxy]-2-nitrobenzene
CID 59820827
4-bromo-2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 58008259
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
[5-bromo-2-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 28981655
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
4-bromo-3-[(4-tert-butylphenyl)methoxy]aniline
CID 103009139
4-[(4-bromo-2-ethylphenoxy)methyl]benzoic acid
CID 20984290
4-[[2-(aminomethyl)-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 63888036
1-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 60908427

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine (CID 28981703) is [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine is CC(C)(C)c1ccc(COc2ccc(Br)cc2CN)cc1.
What is the InChIKey of [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine?
The InChIKey is HNTSLQJXHRFRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-18(2,3)15-6-4-13(5-7-15)12-21-17-9-8-16(19)10-14(17)11-20/h4-10H,11-12,20H2,1-3H3.
What are the key properties of [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine?
[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine has a molecular weight of 348.28 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 28981703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).