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

C17H30N2 — CID 43273657

IUPACN'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)CC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-6-19(11-13(2)3)12-17(18)16-9-7-15(8-10-16)14(4)5/h7-10,13-14,17H,6,11-12,18H2,1-5H3
InChIKeyJAIHCUPHEBOTBM-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.79
Rot. Bonds7

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

N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 43273657) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID43273657
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)CC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-6-19(11-13(2)3)12-17(18)16-9-7-15(8-10-16)14(4)5/h7-10,13-14,17H,6,11-12,18H2,1-5H3
InChIKeyJAIHCUPHEBOTBM-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43273668
2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949371
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79477042
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 54986790
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 43273657) is N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CCN(CC(C)C)CC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is JAIHCUPHEBOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-19(11-13(2)3)12-17(18)16-9-7-15(8-10-16)14(4)5/h7-10,13-14,17H,6,11-12,18H2,1-5H3.
What are the key properties of N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43273657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).