[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine

C23H26N2O — CID 142934531

IUPAC[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCOc1ccc(CN(Cc2ccccc2)Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C23H26N2O/c1-26-23-13-11-22(12-14-23)18-25(16-20-5-3-2-4-6-20)17-21-9-7-19(15-24)8-10-21/h2-14H,15-18,24H2,1H3
InChIKeyAHUAZCNTNUBUAO-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.36
Rot. Bonds8

About [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine

[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 142934531) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID142934531
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCOc1ccc(CN(Cc2ccccc2)Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C23H26N2O/c1-26-23-13-11-22(12-14-23)18-25(16-20-5-3-2-4-6-20)17-21-9-7-19(15-24)8-10-21/h2-14H,15-18,24H2,1H3
InChIKeyAHUAZCNTNUBUAO-UHFFFAOYSA-N
XLogP4.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
CID 142934382
[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934561
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
(4-methoxyphenyl)phosphonic acid;phenylmethanamine
CID 44889970
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
methyl 4-[[[4-(aminomethyl)phenyl]methyl-[(3-methoxyphenyl)methyl]amino]methyl]benzoate
CID 142934608
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
ethane;phenylmethanamine;vanadium
CID 158602574
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
N-[(4-methoxyphenyl)methyl]-3-methyl-N-(2-phenylethyl)butan-1-amine
CID 175631821

Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine (CID 142934531) is [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine is COc1ccc(CN(Cc2ccccc2)Cc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is AHUAZCNTNUBUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-26-23-13-11-22(12-14-23)18-25(16-20-5-3-2-4-6-20)17-21-9-7-19(15-24)8-10-21/h2-14H,15-18,24H2,1H3.
What are the key properties of [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine?
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 346.47 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 142934531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).