N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline

C24H33NO — CID 53387392

IUPACN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NCCC2(c3ccccc3)CCOC(C)(C)C2)c1
InChIInChI=1S/C24H33NO/c1-19(2)20-9-8-12-22(17-20)25-15-13-24(21-10-6-5-7-11-21)14-16-26-23(3,4)18-24/h5-12,17,19,25H,13-16,18H2,1-4H3
InChIKeyIPYFQOFBEXGHTQ-UHFFFAOYSA-N
MW351.53 g/mol
LogP6.14
Rot. Bonds6

About N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline

N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline (PubChem CID 53387392) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline
PubChem CID53387392
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NCCC2(c3ccccc3)CCOC(C)(C)C2)c1
InChIInChI=1S/C24H33NO/c1-19(2)20-9-8-12-22(17-20)25-15-13-24(21-10-6-5-7-11-21)14-16-26-23(3,4)18-24/h5-12,17,19,25H,13-16,18H2,1-4H3
InChIKeyIPYFQOFBEXGHTQ-UHFFFAOYSA-N
XLogP6.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline with MolForge

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

Launch Full Analysis

Related Compounds

3-tert-butyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]aniline
CID 53387394
3-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]benzoic acid
CID 53388189
(1S)-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylethanamine
CID 1341544
4-N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-methylpyrimidine-4,6-diamine
CID 97132520
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-propan-2-ylsulfanylacetamide
CID 126438751
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
3-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 45197694
2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl-[(1R)-1-(4-methoxyphenyl)ethyl]azanium
CID 6984897
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56749765
N-[(2R)-1-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 7642436
2-[2-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]pyrimidin-4-yl]benzonitrile
CID 73388901

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline?
The IUPAC name of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline (CID 53387392) is N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline is CC(C)c1cccc(NCCC2(c3ccccc3)CCOC(C)(C)C2)c1.
What is the InChIKey of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline?
The InChIKey is IPYFQOFBEXGHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-19(2)20-9-8-12-22(17-20)25-15-13-24(21-10-6-5-7-11-21)14-16-26-23(3,4)18-24/h5-12,17,19,25H,13-16,18H2,1-4H3.
What are the key properties of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline?
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-propan-2-ylaniline has a molecular weight of 351.53 g/mol, XLogP of 6.14, 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]-3-propan-2-ylaniline is sourced from PubChem (CID 53387392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).