2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine

C14H23NO — CID 117043743

IUPAC2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(C(C)C)cc1CCN(C)C
InChIInChI=1S/C14H23NO/c1-11(2)12-6-7-14(16-5)13(10-12)8-9-15(3)4/h6-7,10-11H,8-9H2,1-5H3
InChIKeyNOYSTZJTAOAJCK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.92
Rot. Bonds5

About 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine

2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine (PubChem CID 117043743) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
PubChem CID117043743
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
SMILESCOc1ccc(C(C)C)cc1CCN(C)C
InChIInChI=1S/C14H23NO/c1-11(2)12-6-7-14(16-5)13(10-12)8-9-15(3)4/h6-7,10-11H,8-9H2,1-5H3
InChIKeyNOYSTZJTAOAJCK-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(bromomethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115262362
2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide
CID 117043469
N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115261259
[(2-methoxy-5-propan-2-ylphenyl)methylamino]methanethiol
CID 115227896
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073
4-(difluoromethyl)-1-methoxy-2-propylbenzene
CID 165125714
2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol
CID 117320432
5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole
CID 95466802
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
CID 115235168
N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
CID 117044196
2-[5-[C-(3-iminobutan-2-yl)-N-methylcarbonimidoyl]-2-methoxyphenyl]-N,N-dimethylethanamine
CID 123158947

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine (CID 117043743) is 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine is COc1ccc(C(C)C)cc1CCN(C)C.
What is the InChIKey of 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine?
The InChIKey is NOYSTZJTAOAJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)12-6-7-14(16-5)13(10-12)8-9-15(3)4/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine?
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 117043743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).