1-(4-ethoxy-3-methylphenyl)ethanamine

C11H17NO — CID 15594750

IUPAC1-(4-ethoxy-3-methylphenyl)ethanamine
SMILESCCOc1ccc(C(C)N)cc1C
InChIInChI=1S/C11H17NO/c1-4-13-11-6-5-10(9(3)12)7-8(11)2/h5-7,9H,4,12H2,1-3H3
InChIKeyHFCVAYXRVVDPJX-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-ethoxy-3-methylphenyl)ethanamine

1-(4-ethoxy-3-methylphenyl)ethanamine (PubChem CID 15594750) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)ethanamine
PubChem CID15594750
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(4-ethoxy-3-methylphenyl)ethanamine
SMILESCCOc1ccc(C(C)N)cc1C
InChIInChI=1S/C11H17NO/c1-4-13-11-6-5-10(9(3)12)7-8(11)2/h5-7,9H,4,12H2,1-3H3
InChIKeyHFCVAYXRVVDPJX-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
CID 113386781
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine
CID 106450674
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 113436823
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)ethanamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)ethanamine (CID 15594750) is 1-(4-ethoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)ethanamine is CCOc1ccc(C(C)N)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)ethanamine?
The InChIKey is HFCVAYXRVVDPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-13-11-6-5-10(9(3)12)7-8(11)2/h5-7,9H,4,12H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)ethanamine?
1-(4-ethoxy-3-methylphenyl)ethanamine has a molecular weight of 179.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 15594750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).