[3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine

C26H31BrN2 — CID 142934501

IUPAC[3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCC(C)(C)c1ccc(CN(Cc2ccc(Br)cc2)Cc2cccc(CN)c2)cc1
InChIInChI=1S/C26H31BrN2/c1-26(2,3)24-11-7-20(8-12-24)17-29(18-21-9-13-25(27)14-10-21)19-23-6-4-5-22(15-23)16-28/h4-15H,16-19,28H2,1-3H3
InChIKeyQAPSUKMSFAGBRQ-UHFFFAOYSA-N
MW451.45 g/mol
LogP6.41
Rot. Bonds7

About [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine

[3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 142934501) has the molecular formula C26H31BrN2 and a molecular weight of 451.45 g/mol. Its IUPAC name is [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID142934501
Molecular FormulaC26H31BrN2
Molecular Weight451.45 g/mol
Exact Mass450.17
IUPAC Name[3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCC(C)(C)c1ccc(CN(Cc2ccc(Br)cc2)Cc2cccc(CN)c2)cc1
InChIInChI=1S/C26H31BrN2/c1-26(2,3)24-11-7-20(8-12-24)17-29(18-21-9-13-25(27)14-10-21)19-23-6-4-5-22(15-23)16-28/h4-15H,16-19,28H2,1-3H3
InChIKeyQAPSUKMSFAGBRQ-UHFFFAOYSA-N
XLogP6.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]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

[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 143170343
[3-(bromomethyl)phenyl]methanamine
CID 67540206
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934561
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
(4-tert-butylphenyl)methanamine;oxalic acid
CID 146079454
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine (CID 142934501) is [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine is CC(C)(C)c1ccc(CN(Cc2ccc(Br)cc2)Cc2cccc(CN)c2)cc1.
What is the InChIKey of [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is QAPSUKMSFAGBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31BrN2/c1-26(2,3)24-11-7-20(8-12-24)17-29(18-21-9-13-25(27)14-10-21)19-23-6-4-5-22(15-23)16-28/h4-15H,16-19,28H2,1-3H3.
What are the key properties of [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine?
[3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 451.45 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 142934501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).