2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine

C19H25NO — CID 1224093

IUPAC2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1C
InChIInChI=1S/C19H25NO/c1-15-10-11-18(14-16(15)2)19(21-13-12-20(3)4)17-8-6-5-7-9-17/h5-11,14,19H,12-13H2,1-4H3/t19-/m0/s1
InChIKeyFYMARQDOVPCXLS-IBGZPJMESA-N
MW283.42 g/mol
LogP3.97
Rot. Bonds6

About 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine

2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine (PubChem CID 1224093) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
PubChem CID1224093
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1C
InChIInChI=1S/C19H25NO/c1-15-10-11-18(14-16(15)2)19(21-13-12-20(3)4)17-8-6-5-7-9-17/h5-11,14,19H,12-13H2,1-4H3/t19-/m0/s1
InChIKeyFYMARQDOVPCXLS-IBGZPJMESA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]ethyl-dimethylazanium
CID 7745828
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743
2-[(2,5-dimethylpyrazol-3-yl)-phenylmethoxy]-N,N-dimethylethanamine
CID 11687687
2-[(4-fluorophenyl)-(2-methylphenyl)methoxy]-N,N-dimethylethanamine
CID 67474795

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine (CID 1224093) is 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine is Cc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1C.
What is the InChIKey of 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The InChIKey is FYMARQDOVPCXLS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25NO/c1-15-10-11-18(14-16(15)2)19(21-13-12-20(3)4)17-8-6-5-7-9-17/h5-11,14,19H,12-13H2,1-4H3/t19-/m0/s1.
What are the key properties of 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine?
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 1224093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).