1-(3-ethoxyphenyl)-N-methylpropan-2-amine

C12H19NO — CID 547093

IUPAC1-(3-ethoxyphenyl)-N-methylpropan-2-amine
SMILESCCOc1cccc(CC(C)NC)c1
InChIInChI=1S/C12H19NO/c1-4-14-12-7-5-6-11(9-12)8-10(2)13-3/h5-7,9-10,13H,4,8H2,1-3H3
InChIKeyHDBAKCIGTQDZLE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds5

About 1-(3-ethoxyphenyl)-N-methylpropan-2-amine

1-(3-ethoxyphenyl)-N-methylpropan-2-amine (PubChem CID 547093) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-methylpropan-2-amine
PubChem CID547093
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(3-ethoxyphenyl)-N-methylpropan-2-amine
SMILESCCOc1cccc(CC(C)NC)c1
InChIInChI=1S/C12H19NO/c1-4-14-12-7-5-6-11(9-12)8-10(2)13-3/h5-7,9-10,13H,4,8H2,1-3H3
InChIKeyHDBAKCIGTQDZLE-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
CID 63986157
(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine
CID 174662379
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 60818609
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
(3-ethoxyphenyl)methanethiol
CID 79885244
N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
CID 547381
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-methylpropan-2-amine (CID 547093) is 1-(3-ethoxyphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-methylpropan-2-amine is CCOc1cccc(CC(C)NC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-methylpropan-2-amine?
The InChIKey is HDBAKCIGTQDZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-14-12-7-5-6-11(9-12)8-10(2)13-3/h5-7,9-10,13H,4,8H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-methylpropan-2-amine?
1-(3-ethoxyphenyl)-N-methylpropan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 547093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).