1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine

C16H27NO — CID 105028805

IUPAC1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
SMILESCCOc1ccc(C(CCCC(C)C)NC)cc1
InChIInChI=1S/C16H27NO/c1-5-18-15-11-9-14(10-12-15)16(17-4)8-6-7-13(2)3/h9-13,16-17H,5-8H2,1-4H3
InChIKeyCCROVITXBJYTPB-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds8

About 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine

1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine (PubChem CID 105028805) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
PubChem CID105028805
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
SMILESCCOc1ccc(C(CCCC(C)C)NC)cc1
InChIInChI=1S/C16H27NO/c1-5-18-15-11-9-14(10-12-15)16(17-4)8-6-7-13(2)3/h9-13,16-17H,5-8H2,1-4H3
InChIKeyCCROVITXBJYTPB-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-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-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine (CID 105028805) is 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine is CCOc1ccc(C(CCCC(C)C)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is CCROVITXBJYTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-18-15-11-9-14(10-12-15)16(17-4)8-6-7-13(2)3/h9-13,16-17H,5-8H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine?
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 105028805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).