[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine

C29H30N2O — CID 142934561

IUPAC[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCc1ccc(CN(Cc2ccc(Oc3ccccc3)cc2)Cc2cccc(CN)c2)cc1
InChIInChI=1S/C29H30N2O/c1-23-10-12-24(13-11-23)20-31(22-27-7-5-6-26(18-27)19-30)21-25-14-16-29(17-15-25)32-28-8-3-2-4-9-28/h2-18H,19-22,30H2,1H3
InChIKeyWWXLSWACBLQLEA-UHFFFAOYSA-N
MW422.57 g/mol
LogP6.45
Rot. Bonds9

About [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine

[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 142934561) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID142934561
Molecular FormulaC29H30N2O
Molecular Weight422.57 g/mol
Exact Mass422.24
IUPAC Name[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCc1ccc(CN(Cc2ccc(Oc3ccccc3)cc2)Cc2cccc(CN)c2)cc1
InChIInChI=1S/C29H30N2O/c1-23-10-12-24(13-11-23)20-31(22-27-7-5-6-26(18-27)19-30)21-25-14-16-29(17-15-25)32-28-8-3-2-4-9-28/h2-18H,19-22,30H2,1H3
InChIKeyWWXLSWACBLQLEA-UHFFFAOYSA-N
XLogP6.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine with MolForge

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Related Compounds

[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
CID 23959578
N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54074832
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
N'-methyl-N'-[(4-phenoxyphenyl)methyl]methanediamine
CID 115225870
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
[3-methyl-4-(4-methylphenoxy)phenyl]methanamine
CID 55025691
[3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934501
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
N-[(3-methoxyphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-1-phenylmethanamine
CID 42795101

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine (CID 142934561) is [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine is Cc1ccc(CN(Cc2ccc(Oc3ccccc3)cc2)Cc2cccc(CN)c2)cc1.
What is the InChIKey of [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is WWXLSWACBLQLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-23-10-12-24(13-11-23)20-31(22-27-7-5-6-26(18-27)19-30)21-25-14-16-29(17-15-25)32-28-8-3-2-4-9-28/h2-18H,19-22,30H2,1H3.
What are the key properties of [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine?
[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 422.57 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 142934561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).