N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

C15H26N2O — CID 16781981

IUPACN',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)11-15(16)13-7-9-14(10-8-13)18-12(3)4/h7-10,12,15H,5-6,11,16H2,1-4H3
InChIKeySNTLXUSOYWPNLE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds7

About N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine

N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 16781981) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID16781981
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCN(CC)CC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)11-15(16)13-7-9-14(10-8-13)18-12(3)4/h7-10,12,15H,5-6,11,16H2,1-4H3
InChIKeySNTLXUSOYWPNLE-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-diethyl-1-(4-propan-2-yloxyphenyl)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'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61451426
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891559
1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79477042
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43273657
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 16781981) is N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is CCN(CC)CC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is SNTLXUSOYWPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(6-2)11-15(16)13-7-9-14(10-8-13)18-12(3)4/h7-10,12,15H,5-6,11,16H2,1-4H3.
What are the key properties of N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine?
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 16781981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).