N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine

C14H23NO — CID 43279591

IUPACN-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OCC(C)C
InChIInChI=1S/C14H23NO/c1-5-15-12(4)13-8-6-7-9-14(13)16-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyQCCVWPGFGKHFKN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.39
Rot. Bonds6

About N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine

N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine (PubChem CID 43279591) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
PubChem CID43279591
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1OCC(C)C
InChIInChI=1S/C14H23NO/c1-5-15-12(4)13-8-6-7-9-14(13)16-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyQCCVWPGFGKHFKN-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106447883
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-(2-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60882512
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
CID 43284836
N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
CID 43285624
1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 43285276
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine (CID 43279591) is N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine is CCNC(C)c1ccccc1OCC(C)C.
What is the InChIKey of N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine?
The InChIKey is QCCVWPGFGKHFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15-12(4)13-8-6-7-9-14(13)16-10-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine?
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 43279591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).