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

C11H18N2O — CID 143485365

IUPACN-[4-(2-aminoethyl)phenoxy]propan-1-amine
SMILESCCCNOc1ccc(CCN)cc1
InChIInChI=1S/C11H18N2O/c1-2-9-13-14-11-5-3-10(4-6-11)7-8-12/h3-6,13H,2,7-9,12H2,1H3
InChIKeyNMVSGDAHXKNQCF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.48
Rot. Bonds6

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

N-[4-(2-aminoethyl)phenoxy]propan-1-amine (PubChem CID 143485365) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenoxy]propan-1-amine
PubChem CID143485365
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[4-(2-aminoethyl)phenoxy]propan-1-amine
SMILESCCCNOc1ccc(CCN)cc1
InChIInChI=1S/C11H18N2O/c1-2-9-13-14-11-5-3-10(4-6-11)7-8-12/h3-6,13H,2,7-9,12H2,1H3
InChIKeyNMVSGDAHXKNQCF-UHFFFAOYSA-N
XLogP1.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
[4-(2-aminoethyl)phenyl] N-ethylcarbamate
CID 79337248
2-phenylethanamine;N-propylaniline
CID 174836088
3-[4-(2-aminoethyl)phenoxy]butan-2-ol
CID 106940166
(4-propylphenyl) hypochlorite
CID 175330115

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenoxy]propan-1-amine?
The IUPAC name of N-[4-(2-aminoethyl)phenoxy]propan-1-amine (CID 143485365) is N-[4-(2-aminoethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N-[4-(2-aminoethyl)phenoxy]propan-1-amine?
The canonical SMILES for N-[4-(2-aminoethyl)phenoxy]propan-1-amine is CCCNOc1ccc(CCN)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenoxy]propan-1-amine?
The InChIKey is NMVSGDAHXKNQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-9-13-14-11-5-3-10(4-6-11)7-8-12/h3-6,13H,2,7-9,12H2,1H3.
What are the key properties of N-[4-(2-aminoethyl)phenoxy]propan-1-amine?
N-[4-(2-aminoethyl)phenoxy]propan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 143485365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).