N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline

C17H28N2O2 — CID 84750567

IUPACN,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(CNCC2CCCO2)ccc1N(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)21-17-10-14(7-8-16(17)19(3)4)11-18-12-15-6-5-9-20-15/h7-8,10,13,15,18H,5-6,9,11-12H2,1-4H3
InChIKeyUTNUJJUUYJVRBK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.81
Rot. Bonds7

About N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline

N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline (PubChem CID 84750567) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline
PubChem CID84750567
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(CNCC2CCCO2)ccc1N(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)21-17-10-14(7-8-16(17)19(3)4)11-18-12-15-6-5-9-20-15/h7-8,10,13,15,18H,5-6,9,11-12H2,1-4H3
InChIKeyUTNUJJUUYJVRBK-UHFFFAOYSA-N
XLogP2.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
N,N-dimethyl-4-[[(2-methylcyclohexyl)amino]methyl]-2-propan-2-yloxyaniline
CID 84750578
N-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51989753
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847965
N,N-dimethyl-3-[(oxolan-2-ylmethylamino)methyl]aniline
CID 54884287
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline?
The IUPAC name of N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline (CID 84750567) is N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline.
What is the SMILES notation for N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline?
The canonical SMILES for N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline is CC(C)Oc1cc(CNCC2CCCO2)ccc1N(C)C.
What is the InChIKey of N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline?
The InChIKey is UTNUJJUUYJVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)21-17-10-14(7-8-16(17)19(3)4)11-18-12-15-6-5-9-20-15/h7-8,10,13,15,18H,5-6,9,11-12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline?
N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline has a molecular weight of 292.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]-2-propan-2-yloxyaniline is sourced from PubChem (CID 84750567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).