N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine

C16H28N2O — CID 43253445

IUPACN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOc1ccc(CCN)cc1
InChIInChI=1S/C16H28N2O/c1-3-11-18(12-4-2)13-14-19-16-7-5-15(6-8-16)9-10-17/h5-8H,3-4,9-14,17H2,1-2H3
InChIKeyXPYSKNULDDXJGQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds10

About N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine

N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine (PubChem CID 43253445) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
PubChem CID43253445
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCOc1ccc(CCN)cc1
InChIInChI=1S/C16H28N2O/c1-3-11-18(12-4-2)13-14-19-16-7-5-15(6-8-16)9-10-17/h5-8H,3-4,9-14,17H2,1-2H3
InChIKeyXPYSKNULDDXJGQ-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-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

2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N-[2-(4-methylphenoxy)ethyl]-N-propylpropan-1-amine
CID 5261957
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-[4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethoxy]phenyl]ethanamine
CID 61439178
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 65430284
N'-[4-[4-[2-[bis(3-aminopropyl)amino]ethoxy]phenyl]butyl]methanimidamide
CID 141380503
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine (CID 43253445) is N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCOc1ccc(CCN)cc1.
What is the InChIKey of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine?
The InChIKey is XPYSKNULDDXJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-11-18(12-4-2)13-14-19-16-7-5-15(6-8-16)9-10-17/h5-8H,3-4,9-14,17H2,1-2H3.
What are the key properties of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine?
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 43253445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).