N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine

C14H22N2O — CID 115768832

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
SMILESCN(C)c1ccc(CNC2(C)CCOC2)cc1
InChIInChI=1S/C14H22N2O/c1-14(8-9-17-11-14)15-10-12-4-6-13(7-5-12)16(2)3/h4-7,15H,8-11H2,1-3H3
InChIKeyMUGKIGBRHQRJHF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine

N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine (PubChem CID 115768832) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
PubChem CID115768832
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
SMILESCN(C)c1ccc(CNC2(C)CCOC2)cc1
InChIInChI=1S/C14H22N2O/c1-14(8-9-17-11-14)15-10-12-4-6-13(7-5-12)16(2)3/h4-7,15H,8-11H2,1-3H3
InChIKeyMUGKIGBRHQRJHF-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
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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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797
N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline
CID 115635128
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453
4-[[(3-methyloxan-3-yl)amino]methyl]benzamide
CID 103897385
2-[[(3-methyloxolan-3-yl)amino]methyl]phenol
CID 115768602
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865
N-(cyclopenten-1-ylmethyl)-3-methyloxolan-3-amine
CID 130941641
N-[(5-chlorofuran-2-yl)methyl]-3-methyloxolan-3-amine
CID 115768841

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine (CID 115768832) is N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine is CN(C)c1ccc(CNC2(C)CCOC2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine?
The InChIKey is MUGKIGBRHQRJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(8-9-17-11-14)15-10-12-4-6-13(7-5-12)16(2)3/h4-7,15H,8-11H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine?
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine is sourced from PubChem (CID 115768832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).