3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine

C18H31NO2 — CID 123713029

IUPAC3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine
SMILESCCOC(C)Oc1cccc(C(CC(C)C)C(C)(C)N)c1
InChIInChI=1S/C18H31NO2/c1-7-20-14(4)21-16-10-8-9-15(12-16)17(11-13(2)3)18(5,6)19/h8-10,12-14,17H,7,11,19H2,1-6H3
InChIKeyKWIKKUUEKSHQGD-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.31
Rot. Bonds8

About 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine

3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine (PubChem CID 123713029) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine
PubChem CID123713029
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine
SMILESCCOC(C)Oc1cccc(C(CC(C)C)C(C)(C)N)c1
InChIInChI=1S/C18H31NO2/c1-7-20-14(4)21-16-10-8-9-15(12-16)17(11-13(2)3)18(5,6)19/h8-10,12-14,17H,7,11,19H2,1-6H3
InChIKeyKWIKKUUEKSHQGD-UHFFFAOYSA-N
XLogP4.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine 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

1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
CID 90815558
1-butan-2-yl-3-[1-(2-methylpropoxy)ethoxy]benzene
CID 58711385
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116725346
[3-(1-ethoxyethoxy)phenyl]boronic acid
CID 23148193
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
CID 22345861
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
1-(2,5-dimethylheptan-4-yl)-4-(1-ethoxyethoxy)benzene
CID 123503822
2-ethoxy-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116716401
1-(1-cyclohexyloxyethoxy)-3-(2,2-dimethylpentan-3-yl)benzene
CID 123335154
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
5-(2,5-dimethylhexan-3-yl)-2-(1-ethoxypropoxy)-3-[2-[1-[3-(2,5,5-trimethylhexan-3-yl)phenoxy]ethoxy]ethyl]phenol
CID 91495953

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine?
The IUPAC name of 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine (CID 123713029) is 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine.
What is the SMILES notation for 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine?
The canonical SMILES for 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine is CCOC(C)Oc1cccc(C(CC(C)C)C(C)(C)N)c1.
What is the InChIKey of 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine?
The InChIKey is KWIKKUUEKSHQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-20-14(4)21-16-10-8-9-15(12-16)17(11-13(2)3)18(5,6)19/h8-10,12-14,17H,7,11,19H2,1-6H3.
What are the key properties of 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine?
3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine is sourced from PubChem (CID 123713029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).