N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine

C13H22N2 — CID 28772434

IUPACN'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCN(CCN)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H22N2/c1-4-15(10-9-14)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyKXYLVADUMHXDAP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.60
Rot. Bonds5

About N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine

N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 28772434) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID28772434
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCN(CCN)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H22N2/c1-4-15(10-9-14)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10,14H2,1-3H3
InChIKeyKXYLVADUMHXDAP-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 114231042
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline
CID 83973083
N'-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772430
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
CID 171207945
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
N-(2-aminoethyl)-N-(4-propan-2-ylphenyl)butanamide
CID 28770124
N'-[4-[(1S)-1-aminoethyl]phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994146
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 28772434) is N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine is CCN(CCN)c1ccc(C(C)C)cc1.
What is the InChIKey of N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is KXYLVADUMHXDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(10-9-14)13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10,14H2,1-3H3.
What are the key properties of N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 28772434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).