N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine

C15H24N2O — CID 113321797

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
SMILESCN(C)c1ccc(CNC2(C)CCOCC2)cc1
InChIInChI=1S/C15H24N2O/c1-15(8-10-18-11-9-15)16-12-13-4-6-14(7-5-13)17(2)3/h4-7,16H,8-12H2,1-3H3
InChIKeyCSCQPNOIOYLHER-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.41
Rot. Bonds4

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

N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine (PubChem CID 113321797) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
PubChem CID113321797
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
SMILESCN(C)c1ccc(CNC2(C)CCOCC2)cc1
InChIInChI=1S/C15H24N2O/c1-15(8-10-18-11-9-15)16-12-13-4-6-14(7-5-13)17(2)3/h4-7,16H,8-12H2,1-3H3
InChIKeyCSCQPNOIOYLHER-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.41
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]-3-methyloxolan-3-amine
CID 115768832
N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline
CID 115635128
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
2-[4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]propanoic acid
CID 103264182
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
2-fluoro-5-[[(4-methyloxan-4-yl)amino]methyl]benzonitrile
CID 107880462
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine
CID 113321768
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
6-[[(4-methyloxan-4-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075799

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine (CID 113321797) is N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine is CN(C)c1ccc(CNC2(C)CCOCC2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine?
The InChIKey is CSCQPNOIOYLHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(8-10-18-11-9-15)16-12-13-4-6-14(7-5-13)17(2)3/h4-7,16H,8-12H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine?
N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.41, 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]-4-methyloxan-4-amine is sourced from PubChem (CID 113321797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).