3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine

C17H30N2O — CID 138678165

IUPAC3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine
SMILESCCN(CC)CCOc1ccc(C(N)(CC)CC)cc1
InChIInChI=1S/C17H30N2O/c1-5-17(18,6-2)15-9-11-16(12-10-15)20-14-13-19(7-3)8-4/h9-12H,5-8,13-14,18H2,1-4H3
InChIKeyIPSYMADXCQGHFY-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.38
Rot. Bonds9

About 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine

3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine (PubChem CID 138678165) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine.

Molecular Properties

Compound Name3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine
PubChem CID138678165
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine
SMILESCCN(CC)CCOc1ccc(C(N)(CC)CC)cc1
InChIInChI=1S/C17H30N2O/c1-5-17(18,6-2)15-9-11-16(12-10-15)20-14-13-19(7-3)8-4/h9-12H,5-8,13-14,18H2,1-4H3
InChIKeyIPSYMADXCQGHFY-UHFFFAOYSA-N
XLogP3.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
4-[2-(diethylamino)ethoxy]benzenecarbothioamide
CID 20987052
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
2-[4-[2-(diethylamino)ethoxy]phenyl]acetaldehyde
CID 86033023
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine
CID 66822143
4-[2-[ethyl(propyl)amino]ethoxy]benzenecarbothioamide
CID 43290637
2-(3-tert-butylphenoxy)-N,N-diethylethanamine
CID 20619676

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine?
The IUPAC name of 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine (CID 138678165) is 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine.
What is the SMILES notation for 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine?
The canonical SMILES for 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine is CCN(CC)CCOc1ccc(C(N)(CC)CC)cc1.
What is the InChIKey of 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine?
The InChIKey is IPSYMADXCQGHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-17(18,6-2)15-9-11-16(12-10-15)20-14-13-19(7-3)8-4/h9-12H,5-8,13-14,18H2,1-4H3.
What are the key properties of 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine?
3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine has a molecular weight of 278.44 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine is sourced from PubChem (CID 138678165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).