N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine

C18H23NO — CID 102940569

IUPACN-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
SMILESCNCC(COCc1ccccc1)c1ccccc1C
InChIInChI=1S/C18H23NO/c1-15-8-6-7-11-18(15)17(12-19-2)14-20-13-16-9-4-3-5-10-16/h3-11,17,19H,12-14H2,1-2H3
InChIKeyJFKLNJCZSKOZKK-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.51
Rot. Bonds7

About N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine

N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine (PubChem CID 102940569) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
PubChem CID102940569
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
SMILESCNCC(COCc1ccccc1)c1ccccc1C
InChIInChI=1S/C18H23NO/c1-15-8-6-7-11-18(15)17(12-19-2)14-20-13-16-9-4-3-5-10-16/h3-11,17,19H,12-14H2,1-2H3
InChIKeyJFKLNJCZSKOZKK-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-chloro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940982
1-(1-bromo-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940983
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575
2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
CID 102940598
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
N-methyl-4-(3-methylbutoxy)-2-(2-methylphenyl)butan-1-amine
CID 79421011
N-methyl-2-(2-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323709
N-ethyl-2-phenyl-3-phenylmethoxypropan-1-amine
CID 102940555
N-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940428
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
N-methyl-2-(2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591568

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine?
The IUPAC name of N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine (CID 102940569) is N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine is CNCC(COCc1ccccc1)c1ccccc1C.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine?
The InChIKey is JFKLNJCZSKOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-8-6-7-11-18(15)17(12-19-2)14-20-13-16-9-4-3-5-10-16/h3-11,17,19H,12-14H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine?
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 102940569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).