N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine

C14H23NO2 — CID 62937312

IUPACN-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOCCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-13(2)15-9-12-16-10-6-11-17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyQYKFBQVTLMPIJB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.47
Rot. Bonds9

About N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine

N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine (PubChem CID 62937312) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
PubChem CID62937312
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
SMILESCC(C)NCCOCCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-13(2)15-9-12-16-10-6-11-17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyQYKFBQVTLMPIJB-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.47
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

(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
CID 2276712
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848
2-methyl-N-[2-[2-[2-[2-(3-phenoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 177320418
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 67578950

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine (CID 62937312) is N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine is CC(C)NCCOCCCOc1ccccc1.
What is the InChIKey of N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine?
The InChIKey is QYKFBQVTLMPIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2)15-9-12-16-10-6-11-17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3.
What are the key properties of N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine?
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62937312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).