3-[2-(dimethylamino)ethoxy]-N-heptylaniline

C17H30N2O — CID 43720868

IUPAC3-[2-(dimethylamino)ethoxy]-N-heptylaniline
SMILESCCCCCCCNc1cccc(OCCN(C)C)c1
InChIInChI=1S/C17H30N2O/c1-4-5-6-7-8-12-18-16-10-9-11-17(15-16)20-14-13-19(2)3/h9-11,15,18H,4-8,12-14H2,1-3H3
InChIKeyQPPQEODLSUDAAO-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.01
Rot. Bonds11

About 3-[2-(dimethylamino)ethoxy]-N-heptylaniline

3-[2-(dimethylamino)ethoxy]-N-heptylaniline (PubChem CID 43720868) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-heptylaniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-heptylaniline
PubChem CID43720868
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-heptylaniline
SMILESCCCCCCCNc1cccc(OCCN(C)C)c1
InChIInChI=1S/C17H30N2O/c1-4-5-6-7-8-12-18-16-10-9-11-17(15-16)20-14-13-19(2)3/h9-11,15,18H,4-8,12-14H2,1-3H3
InChIKeyQPPQEODLSUDAAO-UHFFFAOYSA-N
XLogP4.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-octylaniline
CID 54800685
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
N-(3-hexoxyphenyl)-N',N'-dipropylethane-1,2-diamine
CID 54809503
N-hexyl-3-(3-methylbutoxy)aniline
CID 54800922
N-heptyl-N'-(3-hexoxyphenyl)ethane-1,2-diamine
CID 54807056
N-hexyl-3-methoxyaniline
CID 15500485
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
3-hexoxy-N-(3-phenylpropyl)aniline
CID 54800266
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-heptylaniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-heptylaniline (CID 43720868) is 3-[2-(dimethylamino)ethoxy]-N-heptylaniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-heptylaniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-heptylaniline is CCCCCCCNc1cccc(OCCN(C)C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-heptylaniline?
The InChIKey is QPPQEODLSUDAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-5-6-7-8-12-18-16-10-9-11-17(15-16)20-14-13-19(2)3/h9-11,15,18H,4-8,12-14H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-heptylaniline?
3-[2-(dimethylamino)ethoxy]-N-heptylaniline has a molecular weight of 278.44 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-heptylaniline is sourced from PubChem (CID 43720868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).