2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline

C14H22N2O — CID 61436320

IUPAC2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
SMILESCc1ccc(CN(C)CC2CCCO2)cc1N
InChIInChI=1S/C14H22N2O/c1-11-5-6-12(8-14(11)15)9-16(2)10-13-4-3-7-17-13/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3
InChIKeyMDPNGIBYNLXJQW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline

2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline (PubChem CID 61436320) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
PubChem CID61436320
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
SMILESCc1ccc(CN(C)CC2CCCO2)cc1N
InChIInChI=1S/C14H22N2O/c1-11-5-6-12(8-14(11)15)9-16(2)10-13-4-3-7-17-13/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3
InChIKeyMDPNGIBYNLXJQW-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
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-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 107879242
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 107880722
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62245323
N-[(4-chloro-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 61431591
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
3-fluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 63331273

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline (CID 61436320) is 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline is Cc1ccc(CN(C)CC2CCCO2)cc1N.
What is the InChIKey of 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The InChIKey is MDPNGIBYNLXJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-6-12(8-14(11)15)9-16(2)10-13-4-3-7-17-13/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline?
2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 61436320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).