[4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

C14H23N2O+ — CID 6948755

IUPAC[4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCN(C)c1ccc(C[NH2+]C[C@H]2CCCO2)cc1
InChIInChI=1S/C14H22N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h5-8,14-15H,3-4,9-11H2,1-2H3/p+1/t14-/m1/s1
InChIKeySEMLVZRNPBKHTM-CQSZACIVSA-O
MW235.35 g/mol
LogP1.00
Rot. Bonds5

About [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

[4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 6948755) has the molecular formula C14H23N2O+ and a molecular weight of 235.35 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID6948755
Molecular FormulaC14H23N2O+
Molecular Weight235.35 g/mol
Exact Mass235.18
IUPAC Name[4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCN(C)c1ccc(C[NH2+]C[C@H]2CCCO2)cc1
InChIInChI=1S/C14H22N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h5-8,14-15H,3-4,9-11H2,1-2H3/p+1/t14-/m1/s1
InChIKeySEMLVZRNPBKHTM-CQSZACIVSA-O
XLogP1.00
TPSA29.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
1-[4-(dimethylamino)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 841681
4-(dimethylamino)-N-(oxolan-2-ylmethyl)benzenecarbothioamide
CID 2983117
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139408
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)azanium
CID 7129182
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78806114
[(2R)-oxolan-2-yl]methyl-[(2,4,5-trimethoxyphenyl)methyl]azanium
CID 7255970
N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55360775
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7324545
4-[1-hydrazinyl-4-(oxolan-2-yl)butyl]-N,N-dimethylaniline
CID 105314018

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium (CID 6948755) is [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium is CN(C)c1ccc(C[NH2+]C[C@H]2CCCO2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is SEMLVZRNPBKHTM-CQSZACIVSA-O. The full InChI is InChI=1S/C14H22N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h5-8,14-15H,3-4,9-11H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
[4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 235.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 6948755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).