2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline

C15H24N2O — CID 107274414

IUPAC2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline
SMILESNc1ccccc1CCCNCCC1CCCO1
InChIInChI=1S/C15H24N2O/c16-15-8-2-1-5-13(15)6-3-10-17-11-9-14-7-4-12-18-14/h1-2,5,8,14,17H,3-4,6-7,9-12,16H2
InChIKeyRJWGRCJVWWSEKY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds7

About 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline

2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline (PubChem CID 107274414) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline.

Molecular Properties

Compound Name2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline
PubChem CID107274414
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline
SMILESNc1ccccc1CCCNCCC1CCCO1
InChIInChI=1S/C15H24N2O/c16-15-8-2-1-5-13(15)6-3-10-17-11-9-14-7-4-12-18-14/h1-2,5,8,14,17H,3-4,6-7,9-12,16H2
InChIKeyRJWGRCJVWWSEKY-UHFFFAOYSA-N
XLogP2.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
CID 107274354
2-[2-[3-(oxolan-2-yl)propylamino]ethyl]benzoic acid
CID 104546797
1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929660
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
3-(2-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide;hydrochloride
CID 120608330
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
2-methyl-3-N-[2-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 63062740
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
5-[2-(oxolan-2-yl)ethylamino]pentanamide
CID 106237094

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline?
The IUPAC name of 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline (CID 107274414) is 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline.
What is the SMILES notation for 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline?
The canonical SMILES for 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline is Nc1ccccc1CCCNCCC1CCCO1.
What is the InChIKey of 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline?
The InChIKey is RJWGRCJVWWSEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-15-8-2-1-5-13(15)6-3-10-17-11-9-14-7-4-12-18-14/h1-2,5,8,14,17H,3-4,6-7,9-12,16H2.
What are the key properties of 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline?
2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline is sourced from PubChem (CID 107274414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).