3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine

C12H19NO — CID 103984749

IUPAC3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCNCC(COC)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)12(8-13-2)9-14-3/h4-7,12-13H,8-9H2,1-3H3
InChIKeySYXSTWZWBKSJBK-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.94
Rot. Bonds5

About 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine

3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 103984749) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
PubChem CID103984749
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCNCC(COC)c1ccc(C)cc1
InChIInChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)12(8-13-2)9-14-3/h4-7,12-13H,8-9H2,1-3H3
InChIKeySYXSTWZWBKSJBK-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
N-methyl-2-(4-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940575
N-methyl-2-(4-methylphenyl)pent-4-en-1-amine
CID 154930772
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
N-methyl-2-(4-methylphenyl)nonan-1-amine
CID 79436826
3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79430417
3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 104794718
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
5-methoxy-2-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79436710

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine (CID 103984749) is 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine is CNCC(COC)c1ccc(C)cc1.
What is the InChIKey of 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is SYXSTWZWBKSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-4-6-11(7-5-10)12(8-13-2)9-14-3/h4-7,12-13H,8-9H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine?
3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 103984749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).