1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine

C17H21NO — CID 24838118

IUPAC1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
SMILESCOc1ccc(C(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C17H21NO/c1-18(2)17(13-14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h4-12,17H,13H2,1-3H3
InChIKeyZRYLBNTXLSDSLL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine

1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine (PubChem CID 24838118) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
PubChem CID24838118
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
SMILESCOc1ccc(C(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C17H21NO/c1-18(2)17(13-14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h4-12,17H,13H2,1-3H3
InChIKeyZRYLBNTXLSDSLL-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)-2-phenylethyl]-1-methyl-3-phenylthiourea
CID 7328313
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
1-(4-methoxy-2-methylphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838120
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
CID 91063046
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-phenylethyl)thiourea
CID 8771362
3-benzyl-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122932
4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
CID 24847056
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine (CID 24838118) is 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine is COc1ccc(C(Cc2ccccc2)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine?
The InChIKey is ZRYLBNTXLSDSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(2)17(13-14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h4-12,17H,13H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine?
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine is sourced from PubChem (CID 24838118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).