N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

C18H32N2O — CID 115505631

IUPACN-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCCNC(C)c1ccc(OCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-7-19-16(6)17-8-10-18(11-9-17)21-13-12-20(14(2)3)15(4)5/h8-11,14-16,19H,7,12-13H2,1-6H3
InChIKeyQARPMMVBZVAWQF-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.85
Rot. Bonds9

About N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 115505631) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID115505631
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCCNC(C)c1ccc(OCCN(C(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-7-19-16(6)17-8-10-18(11-9-17)21-13-12-20(14(2)3)15(4)5/h8-11,14-16,19H,7,12-13H2,1-6H3
InChIKeyQARPMMVBZVAWQF-UHFFFAOYSA-N
XLogP3.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
1-(4-but-3-ynoxyphenyl)-N-ethylethanamine
CID 60880991
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191156
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 115505631) is N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is CCNC(C)c1ccc(OCCN(C(C)C)C(C)C)cc1.
What is the InChIKey of N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is QARPMMVBZVAWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-19-16(6)17-8-10-18(11-9-17)21-13-12-20(14(2)3)15(4)5/h8-11,14-16,19H,7,12-13H2,1-6H3.
What are the key properties of N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(ethylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 115505631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).