N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline

C13H20N2O — CID 143173982

IUPACN-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
SMILESCNc1ccc(CNC[C@@H]2CCCO2)cc1
InChIInChI=1S/C13H20N2O/c1-14-12-6-4-11(5-7-12)9-15-10-13-3-2-8-16-13/h4-7,13-15H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyGKKKWWAUKNXGHR-ZDUSSCGKSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds5

About N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline

N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline (PubChem CID 143173982) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
PubChem CID143173982
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
SMILESCNc1ccc(CNC[C@@H]2CCCO2)cc1
InChIInChI=1S/C13H20N2O/c1-14-12-6-4-11(5-7-12)9-15-10-13-3-2-8-16-13/h4-7,13-15H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyGKKKWWAUKNXGHR-ZDUSSCGKSA-N
XLogP2.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[[4-(chloromethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 107232896
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-methyl-4-[(oxan-2-ylmethylamino)methyl]benzamide
CID 54949437
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline?
The IUPAC name of N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline (CID 143173982) is N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline.
What is the SMILES notation for N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline?
The canonical SMILES for N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline is CNc1ccc(CNC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline?
The InChIKey is GKKKWWAUKNXGHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-12-6-4-11(5-7-12)9-15-10-13-3-2-8-16-13/h4-7,13-15H,2-3,8-10H2,1H3/t13-/m0/s1.
What are the key properties of N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline?
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline has a molecular weight of 220.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline is sourced from PubChem (CID 143173982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).