1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine

C14H23NO — CID 62301989

IUPAC1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(C)ccc1OCC
InChIInChI=1S/C14H23NO/c1-5-13(15-6-2)12-10-11(4)8-9-14(12)16-7-3/h8-10,13,15H,5-7H2,1-4H3
InChIKeyPEEHTFOCFBVLGP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.45
Rot. Bonds6

About 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine

1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine (PubChem CID 62301989) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
PubChem CID62301989
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cc(C)ccc1OCC
InChIInChI=1S/C14H23NO/c1-5-13(15-6-2)12-10-11(4)8-9-14(12)16-7-3/h8-10,13,15H,5-7H2,1-4H3
InChIKeyPEEHTFOCFBVLGP-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-N-ethylheptan-1-amine
CID 114752520
1-(2-ethoxy-5-methylphenyl)-N,2-diethylbutan-1-amine
CID 63505527
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
N-[(2-ethoxy-5-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62302327
N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 80645264
1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 55056937
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
N-[(2,5-dimethylfuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 62303504

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine (CID 62301989) is 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine is CCNC(CC)c1cc(C)ccc1OCC.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine?
The InChIKey is PEEHTFOCFBVLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-13(15-6-2)12-10-11(4)8-9-14(12)16-7-3/h8-10,13,15H,5-7H2,1-4H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine?
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62301989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).