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

C21H21NO — CID 141438033

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 CID141438033
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name[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
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1-ethynyl-3-methyl-5-(3-phenylmethoxyphenyl)benzene
CID 167311917
3-(3,5-dimethylphenyl)-5-(phenoxymethyl)pyridine
CID 46044387
1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene
CID 145321706
[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612416
[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 166611051
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
2-[3-[3-[3-(aminomethyl)phenyl]-5-methylphenoxy]-5-methylphenyl]benzoic acid
CID 69497026
(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951

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).