2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine

C16H26ClN — CID 82214707

IUPAC2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine
SMILESCCN(CC)CC(Cl)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26ClN/c1-6-18(7-2)12-15(17)13-8-10-14(11-9-13)16(3,4)5/h8-11,15H,6-7,12H2,1-5H3
InChIKeyJJNZMXJGDJQRIL-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.61
Rot. Bonds5

About 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine

2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine (PubChem CID 82214707) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine
PubChem CID82214707
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine
SMILESCCN(CC)CC(Cl)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26ClN/c1-6-18(7-2)12-15(17)13-8-10-14(11-9-13)16(3,4)5/h8-11,15H,6-7,12H2,1-5H3
InChIKeyJJNZMXJGDJQRIL-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine 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

N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-ethylbutan-1-amine
CID 82214360
1-tert-butyl-4-(1-chloro-3,4,4-trimethylpentyl)benzene
CID 63833834
3-(4-tert-butylphenyl)-3-chloropropanoic acid
CID 82366777
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
CID 82215609
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol
CID 82214844
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
CID 66459574
1-[2-(4-tert-butylphenyl)-2-chloroethyl]pyrrolidine
CID 82214702
N-butyl-N-[2-chloro-2-(4-ethylphenyl)ethyl]butan-1-amine
CID 82214391
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
1-(4-tert-butylphenyl)-1-chlorobutan-2-one
CID 82161268

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine (CID 82214707) is 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine is CCN(CC)CC(Cl)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine?
The InChIKey is JJNZMXJGDJQRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-6-18(7-2)12-15(17)13-8-10-14(11-9-13)16(3,4)5/h8-11,15H,6-7,12H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine?
2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine has a molecular weight of 267.84 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine is sourced from PubChem (CID 82214707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).