2-(4-ethylphenoxy)-N-methylpropan-1-amine

C12H19NO — CID 54798642

IUPAC2-(4-ethylphenoxy)-N-methylpropan-1-amine
SMILESCCc1ccc(OC(C)CNC)cc1
InChIInChI=1S/C12H19NO/c1-4-11-5-7-12(8-6-11)14-10(2)9-13-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyPRJVRGYSEQELJC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.24
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-methylpropan-1-amine

2-(4-ethylphenoxy)-N-methylpropan-1-amine (PubChem CID 54798642) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-methylpropan-1-amine
PubChem CID54798642
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(4-ethylphenoxy)-N-methylpropan-1-amine
SMILESCCc1ccc(OC(C)CNC)cc1
InChIInChI=1S/C12H19NO/c1-4-11-5-7-12(8-6-11)14-10(2)9-13-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyPRJVRGYSEQELJC-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

2-(4-benzylphenoxy)-N-methylpropan-1-amine
CID 62441040
N-[2-(4-ethylphenoxy)propyl]pentan-3-amine
CID 55088068
N-[2-(4-ethylphenoxy)propyl]-3-methylbutan-1-amine
CID 55088069
1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
CID 92983616
4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline
CID 54796515
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
3-(4-ethylphenoxy)butanoic acid
CID 43535961
2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276085
4-(4-ethylphenoxy)pentan-2-one
CID 64698154
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-ethylphenoxy)-N-methylpropan-1-amine (CID 54798642) is 2-(4-ethylphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-ethylphenoxy)-N-methylpropan-1-amine is CCc1ccc(OC(C)CNC)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-methylpropan-1-amine?
The InChIKey is PRJVRGYSEQELJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-11-5-7-12(8-6-11)14-10(2)9-13-3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of 2-(4-ethylphenoxy)-N-methylpropan-1-amine?
2-(4-ethylphenoxy)-N-methylpropan-1-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 2-(4-ethylphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 54798642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).