[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine

Name: [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₁NO — CID 141438033

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine

SMILESCc1cc(CN)cc(-c2cccc(COc3ccccc3)c2)c1

InChIInChI=1S/C21H21NO/c1-16-10-18(14-22)13-20(11-16)19-7-5-6-17(12-19)15-23-21-8-3-2-4-9-21/h2-13H,14-15,22H2,1H3

InChIKeyUTJZNCRVCTVLMZ-UHFFFAOYSA-N

MW303.40 g/mol

LogP4.70

Rot. Bonds5

About [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine

[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine (PubChem CID 141438033) has the molecular formula C₂₁H₂₁NO and a molecular weight of 303.40 g/mol. Its IUPAC name is [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name	[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine
PubChem CID	141438033
Molecular Formula	C₂₁H₂₁NO
Molecular Weight	303.40 g/mol
Exact Mass	303.16
IUPAC Name	[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine
SMILES	Cc1cc(CN)cc(-c2cccc(COc3ccccc3)c2)c1
InChI	InChI=1S/C21H21NO/c1-16-10-18(14-22)13-20(11-16)19-7-5-6-17(12-19)15-23-21-8-3-2-4-9-21/h2-13H,14-15,22H2,1H3
InChIKey	UTJZNCRVCTVLMZ-UHFFFAOYSA-N
XLogP	4.70
TPSA	35.25 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.40
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine?

The IUPAC name of [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine (CID 141438033) is [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine.

What is the SMILES notation for [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine?

The canonical SMILES for [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine is Cc1cc(CN)cc(-c2cccc(COc3ccccc3)c2)c1.

What is the InChIKey of [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine?

The InChIKey is UTJZNCRVCTVLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-16-10-18(14-22)13-20(11-16)19-7-5-6-17(12-19)15-23-21-8-3-2-4-9-21/h2-13H,14-15,22H2,1H3.

What are the key properties of [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine?

[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine has a molecular weight of 303.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 141438033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141438033 — identifiers, structure, computed properties (public domain)

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