2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine

C19H25NO — CID 63491990

IUPAC2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
SMILESCc1ccc(OC(CNCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15(2)13-20-14-19(17-7-5-4-6-8-17)21-18-11-9-16(3)10-12-18/h4-12,15,19-20H,13-14H2,1-3H3
InChIKeyDZPZTFUXEOZBOB-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.36
Rot. Bonds7

About 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine

2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine (PubChem CID 63491990) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
PubChem CID63491990
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
SMILESCc1ccc(OC(CNCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15(2)13-20-14-19(17-7-5-4-6-8-17)21-18-11-9-16(3)10-12-18/h4-12,15,19-20H,13-14H2,1-3H3
InChIKeyDZPZTFUXEOZBOB-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62454308
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
N-(2-phenoxy-2-phenylethyl)propan-1-amine
CID 62452576
2-methyl-N-[2-(3-methylbutoxy)-2-phenylethyl]propan-1-amine
CID 55077407
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 55072970
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 106450104
1,1-dideuterio-N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine
CID 58297766
N-[2-(2-methoxyethoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62456729
N,N-diethyl-2-(4-methylphenoxy)-2-phenylethanamine
CID 117067240
1,1,2,2-tetradeuterio-3-(4-methylphenoxy)-3-phenyl-N-(trideuteriomethyl)propan-1-amine
CID 58297848
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
CID 118530454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine (CID 63491990) is 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine is Cc1ccc(OC(CNCC(C)C)c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine?
The InChIKey is DZPZTFUXEOZBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)13-20-14-19(17-7-5-4-6-8-17)21-18-11-9-16(3)10-12-18/h4-12,15,19-20H,13-14H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine?
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 63491990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).