N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine

C14H23NO2 — CID 60691183

IUPACN-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-13(2)16-11-6-9-15-10-12-17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyQOLUUETUHVWKPT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.47
Rot. Bonds9

About N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine

N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 60691183) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
PubChem CID60691183
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCCOc1ccccc1
InChIInChI=1S/C14H23NO2/c1-13(2)16-11-6-9-15-10-12-17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3
InChIKeyQOLUUETUHVWKPT-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

3-propan-2-yloxy-N-(2-pyridin-3-yloxyethyl)propan-1-amine
CID 62583458
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
3,3-diethoxy-N-(3-phenoxypropyl)propan-1-amine
CID 81094197
N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
4-chloro-N-(3-phenoxypropyl)pentan-1-amine
CID 106122013
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine (CID 60691183) is N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is QOLUUETUHVWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2)16-11-6-9-15-10-12-17-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3.
What are the key properties of N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine?
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-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-phenoxyethyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 60691183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).