N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline

C13H19NO — CID 102340220

IUPACN,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline
SMILESC[C@@H]1CC[C@H](c2ccc(N(C)C)cc2)O1
InChIInChI=1S/C13H19NO/c1-10-4-9-13(15-10)11-5-7-12(8-6-11)14(2)3/h5-8,10,13H,4,9H2,1-3H3/t10-,13-/m1/s1
InChIKeyDNMUZTGSZXBBPS-ZWNOBZJWSA-N
MW205.30 g/mol
LogP2.99
Rot. Bonds2

About N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline

N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline (PubChem CID 102340220) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline
PubChem CID102340220
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline
SMILESC[C@@H]1CC[C@H](c2ccc(N(C)C)cc2)O1
InChIInChI=1S/C13H19NO/c1-10-4-9-13(15-10)11-5-7-12(8-6-11)14(2)3/h5-8,10,13H,4,9H2,1-3H3/t10-,13-/m1/s1
InChIKeyDNMUZTGSZXBBPS-ZWNOBZJWSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4,4'-Bis(dimethylamino)benzhydrol
CID 92742
1-(4-(Dimethylamino)phenyl)ethan-1-ol
CID 220541
4-(Dimethylamino)benzhydrol
CID 344837
4-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)-N,N-dimethylaniline
CID 164629098
p-(Dimethylamino)benzyl alcohol acetate
CID 12219162
4-(2,2-Dimethyl-4-phenyl-2,5-dihydro-1,3-oxazol-5-yl)-N,N-dimethylaniline
CID 3061433
(1R)-1-[4-(dimethylamino)phenyl]ethan-1-ol
CID 11062741
4-(Oxolan-2-yl)aniline
CID 82111256
4-(4,5-dihydro-1,3-oxazol-2-yl)-N,N-dimethylaniline
CID 347093
3-[[4-(Dimethylamino)phenyl]-ethoxymethyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 13275318
4-(Hydroxymethyl)-N,N,N-trimethylanilinium iodide
CID 46966
N,N-Dimethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline
CID 3068529

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline (CID 102340220) is N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline is C[C@@H]1CC[C@H](c2ccc(N(C)C)cc2)O1.
What is the InChIKey of N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline?
The InChIKey is DNMUZTGSZXBBPS-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-4-9-13(15-10)11-5-7-12(8-6-11)14(2)3/h5-8,10,13H,4,9H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline?
N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline has a molecular weight of 205.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2R,5R)-5-methyloxolan-2-yl]aniline is sourced from PubChem (CID 102340220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).