N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine

C23H31NO — CID 3823118

IUPACN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine
SMILESCC(NCCC1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-19(20-10-6-4-7-11-20)24-16-14-23(21-12-8-5-9-13-21)15-17-25-22(2,3)18-23/h4-13,19,24H,14-18H2,1-3H3
InChIKeyPLOSVZGCTGIPMD-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.25
Rot. Bonds6

About N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine

N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine (PubChem CID 3823118) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine
PubChem CID3823118
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine
SMILESCC(NCCC1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-19(20-10-6-4-7-11-20)24-16-14-23(21-12-8-5-9-13-21)15-17-25-22(2,3)18-23/h4-13,19,24H,14-18H2,1-3H3
InChIKeyPLOSVZGCTGIPMD-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine?
The IUPAC name of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine (CID 3823118) is N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine is CC(NCCC1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1.
What is the InChIKey of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine?
The InChIKey is PLOSVZGCTGIPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-19(20-10-6-4-7-11-20)24-16-14-23(21-12-8-5-9-13-21)15-17-25-22(2,3)18-23/h4-13,19,24H,14-18H2,1-3H3.
What are the key properties of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine?
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine has a molecular weight of 337.51 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 3823118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).