1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine

C16H28N2 — CID 16642736

IUPAC1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-18(7-2)15(12-17)13-8-10-14(11-9-13)16(3,4)5/h8-11,15H,6-7,12,17H2,1-5H3
InChIKeyAEZKGWYRNWWOPF-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.33
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine

1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine (PubChem CID 16642736) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
PubChem CID16642736
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-18(7-2)15(12-17)13-8-10-14(11-9-13)16(3,4)5/h8-11,15H,6-7,12,17H2,1-5H3
InChIKeyAEZKGWYRNWWOPF-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine 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-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 16791138
1-(3,4-dimethylphenyl)-N,N-diethylethane-1,2-diamine
CID 43753439
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905440
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
CID 43268550
1-(4-tert-butylphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568912
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43265565
2-[(2-amino-1-phenylethyl)-ethylamino]acetamide
CID 103101334

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine (CID 16642736) is 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine?
The InChIKey is AEZKGWYRNWWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-18(7-2)15(12-17)13-8-10-14(11-9-13)16(3,4)5/h8-11,15H,6-7,12,17H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine?
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 16642736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).