N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine

C14H23NO — CID 115259585

IUPACN-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCN(C)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-15(4)11-10-13-6-8-14(9-7-13)16-12(2)3/h6-9,12H,5,10-11H2,1-4H3
InChIKeyRFVJNESTSMUHEX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine

N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 115259585) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID115259585
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCN(C)CCc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-15(4)11-10-13-6-8-14(9-7-13)16-12(2)3/h6-9,12H,5,10-11H2,1-4H3
InChIKeyRFVJNESTSMUHEX-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-[ethyl(methyl)amino]ethyl]phenyl]-N,N-dimethylethanamine
CID 156861080
ethane;N-ethyl-N-methyl-2-(4-propylphenyl)ethanamine
CID 170568640
N-ethyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 58662120
2-amino-N-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115152562
N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115263189
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
3-[methyl(2-pyridin-4-ylethyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 110830648
4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
CID 115235805
N-methyl-2-methylidene-N-[3-(4-propan-2-yloxyphenyl)propyl]cyclopropan-1-amine
CID 129295885
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine (CID 115259585) is N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine is CCN(C)CCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is RFVJNESTSMUHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15(4)11-10-13-6-8-14(9-7-13)16-12(2)3/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine?
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 115259585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).