N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride

C14H23ClN2O — CID 2960152

IUPACN,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride
SMILESCN(C)c1ccc(CNCC2CCCO2)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/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;1H
InChIKeyUGUUIGZYCPCCEX-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.44
Rot. Bonds5

About N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride

N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride (PubChem CID 2960152) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride
PubChem CID2960152
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride
SMILESCN(C)c1ccc(CNCC2CCCO2)cc1.Cl
InChIInChI=1S/C14H22N2O.ClH/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;1H
InChIKeyUGUUIGZYCPCCEX-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride?
The IUPAC name of N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride (CID 2960152) is N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride is CN(C)c1ccc(CNCC2CCCO2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride?
The InChIKey is UGUUIGZYCPCCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/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;1H.
What are the key properties of N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride?
N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(oxolan-2-ylmethylamino)methyl]aniline;hydrochloride is sourced from PubChem (CID 2960152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).