2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine

C20H28N2O — CID 124847433

IUPAC2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine
SMILESCCc1cccc(CC)c1[C@@H](OCCN(C)C)c1ccncc1
InChIInChI=1S/C20H28N2O/c1-5-16-8-7-9-17(6-2)19(16)20(23-15-14-22(3)4)18-10-12-21-13-11-18/h7-13,20H,5-6,14-15H2,1-4H3/t20-/m0/s1
InChIKeyKUPYKINGXANIRA-FQEVSTJZSA-N
MW312.46 g/mol
LogP3.87
Rot. Bonds8

About 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine

2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine (PubChem CID 124847433) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine
PubChem CID124847433
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine
SMILESCCc1cccc(CC)c1[C@@H](OCCN(C)C)c1ccncc1
InChIInChI=1S/C20H28N2O/c1-5-16-8-7-9-17(6-2)19(16)20(23-15-14-22(3)4)18-10-12-21-13-11-18/h7-13,20H,5-6,14-15H2,1-4H3/t20-/m0/s1
InChIKeyKUPYKINGXANIRA-FQEVSTJZSA-N
XLogP3.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490
2-[bis(4-fluorophenyl)methoxy]-N,N-dimethylethanamine;hydrochloride
CID 13354011
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-benzhydryloxy-N,N-dimethylethanamine;2-(2-benzylphenoxy)-N,N-dimethylethanamine
CID 70260941
[(2,6-diethylphenyl)-pyridin-3-ylmethyl] acetate
CID 5236931
N,N-dimethyl-2-[(2,3,4,5,6-pentadeuteriophenyl)-phenylmethoxy]ethanamine;hydrochloride
CID 76974743

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine (CID 124847433) is 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine is CCc1cccc(CC)c1[C@@H](OCCN(C)C)c1ccncc1.
What is the InChIKey of 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine?
The InChIKey is KUPYKINGXANIRA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28N2O/c1-5-16-8-7-9-17(6-2)19(16)20(23-15-14-22(3)4)18-10-12-21-13-11-18/h7-13,20H,5-6,14-15H2,1-4H3/t20-/m0/s1.
What are the key properties of 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine?
2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine has a molecular weight of 312.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2,6-diethylphenyl)-pyridin-4-ylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 124847433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).