2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline

C15H24N2O — CID 107274354

IUPAC2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
SMILESCN(CCCc1ccccc1N)CC1CCCO1
InChIInChI=1S/C15H24N2O/c1-17(12-14-8-5-11-18-14)10-4-7-13-6-2-3-9-15(13)16/h2-3,6,9,14H,4-5,7-8,10-12,16H2,1H3
InChIKeyWUCICTGYLDWKHL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds6

About 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline

2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline (PubChem CID 107274354) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline.

Molecular Properties

Compound Name2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
PubChem CID107274354
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
SMILESCN(CCCc1ccccc1N)CC1CCCO1
InChIInChI=1S/C15H24N2O/c1-17(12-14-8-5-11-18-14)10-4-7-13-6-2-3-9-15(13)16/h2-3,6,9,14H,4-5,7-8,10-12,16H2,1H3
InChIKeyWUCICTGYLDWKHL-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline
CID 107274414
2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]benzoic acid
CID 104548757
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
CID 43591944
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
CID 55174589
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
3-fluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 63331273
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline?
The IUPAC name of 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline (CID 107274354) is 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline.
What is the SMILES notation for 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline?
The canonical SMILES for 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline is CN(CCCc1ccccc1N)CC1CCCO1.
What is the InChIKey of 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline?
The InChIKey is WUCICTGYLDWKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(12-14-8-5-11-18-14)10-4-7-13-6-2-3-9-15(13)16/h2-3,6,9,14H,4-5,7-8,10-12,16H2,1H3.
What are the key properties of 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline?
2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline is sourced from PubChem (CID 107274354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).