N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine

C16H25NO2 — CID 75382465

IUPACN-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine
SMILESCc1ccccc1C(C)NCCCOC1CCOC1
InChIInChI=1S/C16H25NO2/c1-13-6-3-4-7-16(13)14(2)17-9-5-10-19-15-8-11-18-12-15/h3-4,6-7,14-15,17H,5,8-12H2,1-2H3
InChIKeyLBLKVCXDLNNUMJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds7

About N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine

N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine (PubChem CID 75382465) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine
PubChem CID75382465
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine
SMILESCc1ccccc1C(C)NCCCOC1CCOC1
InChIInChI=1S/C16H25NO2/c1-13-6-3-4-7-16(13)14(2)17-9-5-10-19-15-8-11-18-12-15/h3-4,6-7,14-15,17H,5,8-12H2,1-2H3
InChIKeyLBLKVCXDLNNUMJ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine (CID 75382465) is N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine is Cc1ccccc1C(C)NCCCOC1CCOC1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine?
The InChIKey is LBLKVCXDLNNUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-6-3-4-7-16(13)14(2)17-9-5-10-19-15-8-11-18-12-15/h3-4,6-7,14-15,17H,5,8-12H2,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine?
N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine is sourced from PubChem (CID 75382465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).