N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline

C14H22N2O — CID 54884287

IUPACN,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline
SMILESCN(C)c1cccc(CNCC2CCCO2)c1
InChIInChI=1S/C14H22N2O/c1-16(2)13-6-3-5-12(9-13)10-15-11-14-7-4-8-17-14/h3,5-6,9,14-15H,4,7-8,10-11H2,1-2H3
InChIKeyXNPVEFFESSGERH-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds5

About N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline

N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline (PubChem CID 54884287) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline
PubChem CID54884287
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline
SMILESCN(C)c1cccc(CNCC2CCCO2)c1
InChIInChI=1S/C14H22N2O/c1-16(2)13-6-3-5-12(9-13)10-15-11-14-7-4-8-17-14/h3,5-6,9,14-15H,4,7-8,10-11H2,1-2H3
InChIKeyXNPVEFFESSGERH-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
[3-(dimethylamino)phenyl]methyl 2-(oxolan-2-yl)acetate
CID 56806950
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline
CID 84750567
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 17213568
2,6-dichloro-4-[(oxolan-2-ylmethylamino)methyl]aniline
CID 82833111
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 55228585
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline?
The IUPAC name of N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline (CID 54884287) is N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline?
The canonical SMILES for N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline is CN(C)c1cccc(CNCC2CCCO2)c1.
What is the InChIKey of N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline?
The InChIKey is XNPVEFFESSGERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(2)13-6-3-5-12(9-13)10-15-11-14-7-4-8-17-14/h3,5-6,9,14-15H,4,7-8,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline?
N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline is sourced from PubChem (CID 54884287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).