ethane;(4-ethylphenoxy)methanamine

C11H19NO — CID 145400359

IUPACethane;(4-ethylphenoxy)methanamine
SMILESCC.CCc1ccc(OCN)cc1
InChIInChI=1S/C9H13NO.C2H6/c1-2-8-3-5-9(6-4-8)11-7-10;1-2/h3-6H,2,7,10H2,1H3;1-2H3
InChIKeyIDZHSRFIEDGKJK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.57
Rot. Bonds3

About ethane;(4-ethylphenoxy)methanamine

ethane;(4-ethylphenoxy)methanamine (PubChem CID 145400359) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;(4-ethylphenoxy)methanamine.

Molecular Properties

Compound Nameethane;(4-ethylphenoxy)methanamine
PubChem CID145400359
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;(4-ethylphenoxy)methanamine
SMILESCC.CCc1ccc(OCN)cc1
InChIInChI=1S/C9H13NO.C2H6/c1-2-8-3-5-9(6-4-8)11-7-10;1-2/h3-6H,2,7,10H2,1H3;1-2H3
InChIKeyIDZHSRFIEDGKJK-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethane;(4-ethylphenoxy)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-diethylbenzene;ethane
CID 91207141
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
4-(4-ethylphenoxy)-3-methylbutan-1-amine
CID 112515228
(4-benzylphenoxy)methanamine
CID 67208849
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
1,4-diethylbenzene;ethane;methane
CID 166131756
4-(4-ethylphenoxy)-2-methylbutan-2-amine
CID 28917779
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
1-ethyl-4-[(E)-pent-2-enoxy]benzene
CID 152800544
1-(4-ethylphenoxy)propan-2-one
CID 21325379
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998

Frequently Asked Questions

What is the IUPAC name of ethane;(4-ethylphenoxy)methanamine?
The IUPAC name of ethane;(4-ethylphenoxy)methanamine (CID 145400359) is ethane;(4-ethylphenoxy)methanamine.
What is the SMILES notation for ethane;(4-ethylphenoxy)methanamine?
The canonical SMILES for ethane;(4-ethylphenoxy)methanamine is CC.CCc1ccc(OCN)cc1.
What is the InChIKey of ethane;(4-ethylphenoxy)methanamine?
The InChIKey is IDZHSRFIEDGKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-2-8-3-5-9(6-4-8)11-7-10;1-2/h3-6H,2,7,10H2,1H3;1-2H3.
What are the key properties of ethane;(4-ethylphenoxy)methanamine?
ethane;(4-ethylphenoxy)methanamine has a molecular weight of 181.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-ethylphenoxy)methanamine is sourced from PubChem (CID 145400359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).