N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine

C18H30N2O — CID 115563782

IUPACN-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
SMILESCCN(CC)c1ccc(CNC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-5-20(6-2)17-9-7-15(8-10-17)14-19-16-11-12-21-18(3,4)13-16/h7-10,16,19H,5-6,11-14H2,1-4H3
InChIKeySTIKCTTVYGFWFU-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.58
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine

N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine (PubChem CID 115563782) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
PubChem CID115563782
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine
SMILESCCN(CC)c1ccc(CNC2CCOC(C)(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-5-20(6-2)17-9-7-15(8-10-17)14-19-16-11-12-21-18(3,4)13-16/h7-10,16,19H,5-6,11-14H2,1-4H3
InChIKeySTIKCTTVYGFWFU-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.58
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-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]oxan-4-amine
CID 115563628
N-[[4-(dimethylamino)phenyl]methyl]-N'-(2,2-dimethyloxan-4-yl)ethane-1,2-diamine
CID 42649549
N-[[4-(diethylamino)phenyl]methyl]cycloheptanamine
CID 4719916
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]oxan-4-amine
CID 105378639
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563685
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
N-[(3-chloro-5-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 114453071

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine (CID 115563782) is N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine is CCN(CC)c1ccc(CNC2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is STIKCTTVYGFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-20(6-2)17-9-7-15(8-10-17)14-19-16-11-12-21-18(3,4)13-16/h7-10,16,19H,5-6,11-14H2,1-4H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine?
N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115563782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).