N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine

C14H24N2 — CID 107444584

IUPACN'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)15-10-11-16-14(2,3)4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyYGMLVRJHUIZERP-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.05
Rot. Bonds5

About N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine

N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine (PubChem CID 107444584) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
PubChem CID107444584
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCc1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)15-10-11-16-14(2,3)4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyYGMLVRJHUIZERP-UHFFFAOYSA-N
XLogP3.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-(4-ethylphenyl)ethane-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-tert-butyl-4-ethylaniline
CID 58745565
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
4-ethyl-N-(3-fluoropropyl)aniline
CID 81106557
N,4-diethylaniline
CID 6429431
N-tert-butyl-6-(4-ethylphenyl)hexan-1-amine
CID 65308895
N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446790
N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 107444712
N'-tert-butyl-N-(3,4-difluorophenyl)ethane-1,2-diamine
CID 107444543
2-[2-(4-ethylanilino)ethylamino]phenol
CID 151020597
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949
1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea
CID 107445245
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine (CID 107444584) is N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine is CCc1ccc(NCCNC(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine?
The InChIKey is YGMLVRJHUIZERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)15-10-11-16-14(2,3)4/h6-9,15-16H,5,10-11H2,1-4H3.
What are the key properties of N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine?
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 107444584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).