N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine

C14H23NO — CID 66676

IUPACN,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
SMILESCC1=CC(=C(C=C1)C(C)C)OCCN(C)C
InChIInChI=1S/C14H23NO/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyMZPZTGNMUWMDBQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.80
Rot. Bonds5

About N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine

N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine (PubChem CID 66676) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine
PubChem CID66676
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
SMILESCC1=CC(=C(C=C1)C(C)C)OCCN(C)C
InChIInChI=1S/C14H23NO/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyMZPZTGNMUWMDBQ-UHFFFAOYSA-N
XLogP3.80
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity191

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Doxepin
CID 3158
Zonalon
CID 667477
Moxisylyte
CID 4260
Phenyltoloxamine
CID 7077
Doxepin Hydrochloride
CID 6419921
Tesmilifene
CID 108092
Thymyl methyl ether
CID 14104
Carvacryl methyl ether
CID 80790
(Z)-Doxepin
CID 667468
Moxisylyte Hydrochloride
CID 6420039
Carvacryl ethyl ether
CID 527268
Sinequan
CID 14675

Frequently Asked Questions

What is the IUPAC name of N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine?
The IUPAC name of N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine (CID 66676) is N,N-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine?
The canonical SMILES for N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine is CC1=CC(=C(C=C1)C(C)C)OCCN(C)C.
What is the InChIKey of N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine?
The InChIKey is MZPZTGNMUWMDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-7-6-12(3)10-14(13)16-9-8-15(4)5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine?
N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Dimethyl-2-(5-methyl-2-(1-methylethyl)phenoxy)ethanamine is sourced from PubChem (CID 66676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).