N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline

C24H35NO — CID 70632889

IUPACN-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline
SMILESCCN(c1ccccc1)C(C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C24H35NO/c1-8-25(21-12-10-9-11-13-21)19(2)26-22-16-14-20(15-17-22)24(6,7)18-23(3,4)5/h9-17,19H,8,18H2,1-7H3
InChIKeyOZINKHRNQLCNOA-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.65
Rot. Bonds7

About N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline

N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline (PubChem CID 70632889) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline
PubChem CID70632889
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC NameN-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline
SMILESCCN(c1ccccc1)C(C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C24H35NO/c1-8-25(21-12-10-9-11-13-21)19(2)26-22-16-14-20(15-17-22)24(6,7)18-23(3,4)5/h9-17,19H,8,18H2,1-7H3
InChIKeyOZINKHRNQLCNOA-UHFFFAOYSA-N
XLogP6.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline 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

Benzethonium
CID 2335
((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
CID 104687
Teroxalene Hydrochloride
CID 19704
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
1-(4-Tert-butylphenoxy)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2-propanol
CID 2920037
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
4-[(4-iodophenyl)methoxy]-N,N-dimethylaniline
CID 76283253
Teroxalene
CID 19705
(3-Fluorophenyl)[2-(4-methoxyphenyl)-1-methylethyl]amine
CID 2848284
1-[2-(7-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10665424

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline?
The IUPAC name of N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline (CID 70632889) is N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline.
What is the SMILES notation for N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline?
The canonical SMILES for N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline is CCN(c1ccccc1)C(C)Oc1ccc(C(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline?
The InChIKey is OZINKHRNQLCNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-8-25(21-12-10-9-11-13-21)19(2)26-22-16-14-20(15-17-22)24(6,7)18-23(3,4)5/h9-17,19H,8,18H2,1-7H3.
What are the key properties of N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline?
N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline has a molecular weight of 353.55 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline is sourced from PubChem (CID 70632889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).