N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine

C19H31NO — CID 134693384

IUPACN-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine
SMILESCC(C)C1CC(NCCc2ccccc2)CC(C(C)C)O1
InChIInChI=1S/C19H31NO/c1-14(2)18-12-17(13-19(21-18)15(3)4)20-11-10-16-8-6-5-7-9-16/h5-9,14-15,17-20H,10-13H2,1-4H3
InChIKeyBYCKRXRTVJPGNC-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.05
Rot. Bonds6

About N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine

N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine (PubChem CID 134693384) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine
PubChem CID134693384
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine
SMILESCC(C)C1CC(NCCc2ccccc2)CC(C(C)C)O1
InChIInChI=1S/C19H31NO/c1-14(2)18-12-17(13-19(21-18)15(3)4)20-11-10-16-8-6-5-7-9-16/h5-9,14-15,17-20H,10-13H2,1-4H3
InChIKeyBYCKRXRTVJPGNC-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine?
The IUPAC name of N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine (CID 134693384) is N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine is CC(C)C1CC(NCCc2ccccc2)CC(C(C)C)O1.
What is the InChIKey of N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine?
The InChIKey is BYCKRXRTVJPGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)18-12-17(13-19(21-18)15(3)4)20-11-10-16-8-6-5-7-9-16/h5-9,14-15,17-20H,10-13H2,1-4H3.
What are the key properties of N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine?
N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine has a molecular weight of 289.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2,6-di(propan-2-yl)oxan-4-amine is sourced from PubChem (CID 134693384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).