[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine

C17H21NO — CID 114479266

IUPAC[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COc1c(C)cccc1C
InChIInChI=1S/C17H21NO/c1-12-5-4-6-13(2)17(12)19-11-16-8-7-15(10-18)9-14(16)3/h4-9H,10-11,18H2,1-3H3
InChIKeyRRCFBZONXVWHTO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.65
Rot. Bonds4

About [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine

[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine (PubChem CID 114479266) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
PubChem CID114479266
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COc1c(C)cccc1C
InChIInChI=1S/C17H21NO/c1-12-5-4-6-13(2)17(12)19-11-16-8-7-15(10-18)9-14(16)3/h4-9H,10-11,18H2,1-3H3
InChIKeyRRCFBZONXVWHTO-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479426
4-[(2,6-dimethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482196
[3-fluoro-4-[(2,3,6-trimethylphenoxy)methyl]phenyl]methanamine
CID 43345550
[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 114479420
[3-methyl-4-(quinolin-7-yloxymethyl)phenyl]methanamine
CID 107313344
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
[2-[(2,4-difluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 112607460
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine (CID 114479266) is [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine is Cc1cc(CN)ccc1COc1c(C)cccc1C.
What is the InChIKey of [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine?
The InChIKey is RRCFBZONXVWHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-5-4-6-13(2)17(12)19-11-16-8-7-15(10-18)9-14(16)3/h4-9H,10-11,18H2,1-3H3.
What are the key properties of [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine?
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114479266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).