2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine

C18H23NO — CID 63550509

IUPAC2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccccc1Oc1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H23NO/c1-14-9-5-7-11-16(14)20-17-12-8-6-10-15(17)13-19-18(2,3)4/h5-12,19H,13H2,1-4H3
InChIKeyPREHOPADFSMYKD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.68
Rot. Bonds4

About 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine

2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 63550509) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID63550509
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccccc1Oc1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H23NO/c1-14-9-5-7-11-16(14)20-17-12-8-6-10-15(17)13-19-18(2,3)4/h5-12,19H,13H2,1-4H3
InChIKeyPREHOPADFSMYKD-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 102990008
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol
CID 88794834
N-[[3-chloro-4-(2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81144981
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine (CID 63550509) is 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine is Cc1ccccc1Oc1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is PREHOPADFSMYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-9-5-7-11-16(14)20-17-12-8-6-10-15(17)13-19-18(2,3)4/h5-12,19H,13H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63550509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).