3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine

C15H26N2O — CID 43265457

IUPAC3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
SMILESCCN(CCCOc1cccc(CN)c1)C(C)C
InChIInChI=1S/C15H26N2O/c1-4-17(13(2)3)9-6-10-18-15-8-5-7-14(11-15)12-16/h5,7-8,11,13H,4,6,9-10,12,16H2,1-3H3
InChIKeyPJRCADYQPLTYMT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.64
Rot. Bonds8

About 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine

3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine (PubChem CID 43265457) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
PubChem CID43265457
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
SMILESCCN(CCCOc1cccc(CN)c1)C(C)C
InChIInChI=1S/C15H26N2O/c1-4-17(13(2)3)9-6-10-18-15-8-5-7-14(11-15)12-16/h5,7-8,11,13H,4,6,9-10,12,16H2,1-3H3
InChIKeyPJRCADYQPLTYMT-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.64
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

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 55074731
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine
CID 141046918
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
[3-[3-(1-ethoxypropan-2-yloxy)propoxy]phenyl]methanamine
CID 103487057
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethyl-4-methylaniline
CID 62003351
N-[3-(aminomethyl)phenyl]-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265468

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine (CID 43265457) is 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine is CCN(CCCOc1cccc(CN)c1)C(C)C.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine?
The InChIKey is PJRCADYQPLTYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(13(2)3)9-6-10-18-15-8-5-7-14(11-15)12-16/h5,7-8,11,13H,4,6,9-10,12,16H2,1-3H3.
What are the key properties of 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine?
3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 43265457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).