3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine

C17H21NO — CID 67124192

IUPAC3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1OC(CCN)c1ccccc1C
InChIInChI=1S/C17H21NO/c1-13-7-3-5-9-15(13)17(11-12-18)19-16-10-6-4-8-14(16)2/h3-10,17H,11-12,18H2,1-2H3
InChIKeyIAXHMLOZHMQQSO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.77
Rot. Bonds5

About 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine

3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine (PubChem CID 67124192) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine
PubChem CID67124192
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1OC(CCN)c1ccccc1C
InChIInChI=1S/C17H21NO/c1-13-7-3-5-9-15(13)17(11-12-18)19-16-10-6-4-8-14(16)2/h3-10,17H,11-12,18H2,1-2H3
InChIKeyIAXHMLOZHMQQSO-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 23623913
2-[2-amino-1-(2-methylphenyl)ethoxy]benzonitrile
CID 55018955
3-(2-methoxyphenyl)-3-phenoxypropan-1-amine
CID 112501709
2-(2,3-dichlorophenoxy)-2-(2-methylphenyl)ethanamine
CID 55018621
3-fluoro-3-(2-methylphenyl)propan-1-amine
CID 84652798
1-chloro-2-[1-(2-methylphenoxy)propyl]benzene
CID 174455453
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine
CID 14950285
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
CID 69262576

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine (CID 67124192) is 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1OC(CCN)c1ccccc1C.
What is the InChIKey of 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is IAXHMLOZHMQQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-7-3-5-9-15(13)17(11-12-18)19-16-10-6-4-8-14(16)2/h3-10,17H,11-12,18H2,1-2H3.
What are the key properties of 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine?
3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 67124192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).