1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine

C14H23NO3 — CID 43184596

IUPAC1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
SMILESCOc1ccc(C(N)COCCOC(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-11(2)18-9-8-17-10-14(15)12-4-6-13(16-3)7-5-12/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeyLXQCCXSVNAOEFA-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine

1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine (PubChem CID 43184596) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
PubChem CID43184596
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
SMILESCOc1ccc(C(N)COCCOC(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-11(2)18-9-8-17-10-14(15)12-4-6-13(16-3)7-5-12/h4-7,11,14H,8-10,15H2,1-3H3
InChIKeyLXQCCXSVNAOEFA-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine 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-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
CID 43127754
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 43184137
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
1-(4-methoxyphenyl)-3-propan-2-yloxypropan-1-ol
CID 115001584
1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055276
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184047

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine (CID 43184596) is 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine is COc1ccc(C(N)COCCOC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine?
The InChIKey is LXQCCXSVNAOEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)18-9-8-17-10-14(15)12-4-6-13(16-3)7-5-12/h4-7,11,14H,8-10,15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine?
1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)ethanamine is sourced from PubChem (CID 43184596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).