N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine

C14H23NO — CID 20679121

IUPACN,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
SMILESCc1cccc(C(C)C)c1OCCN(C)C
InChIInChI=1S/C14H23NO/c1-11(2)13-8-6-7-12(3)14(13)16-10-9-15(4)5/h6-8,11H,9-10H2,1-5H3
InChIKeyIABGHKRLIPMOEH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.06
Rot. Bonds5

About N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine

N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine (PubChem CID 20679121) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
PubChem CID20679121
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
SMILESCc1cccc(C(C)C)c1OCCN(C)C
InChIInChI=1S/C14H23NO/c1-11(2)13-8-6-7-12(3)14(13)16-10-9-15(4)5/h6-8,11H,9-10H2,1-5H3
InChIKeyIABGHKRLIPMOEH-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2733526
Doxepin
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Mexiletine
CID 4178
Phenyltoloxamine
CID 7077
Sinequan
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Mexiletine Hydrochloride
CID 21467
Tesmilifene
CID 108092
(Z)-Doxepin
CID 667468
Benproperine
CID 2326
(E)-Tamoxifen
CID 3032583
(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
CID 180621
(S)-Mexiletine
CID 185376

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine (CID 20679121) is N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine is Cc1cccc(C(C)C)c1OCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine?
The InChIKey is IABGHKRLIPMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)13-8-6-7-12(3)14(13)16-10-9-15(4)5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine?
N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.06, 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-(2-methyl-6-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 20679121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).