3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

C18H33N3 — CID 84752196

IUPAC3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)c1ccc(CC(C)(CN)N(CC)CC)cc1
InChIInChI=1S/C18H33N3/c1-6-20(7-2)17-12-10-16(11-13-17)14-18(5,15-19)21(8-3)9-4/h10-13H,6-9,14-15,19H2,1-5H3
InChIKeyMCFQOMDPVJGERB-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.13
Rot. Bonds9

About 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (PubChem CID 84752196) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
PubChem CID84752196
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)c1ccc(CC(C)(CN)N(CC)CC)cc1
InChIInChI=1S/C18H33N3/c1-6-20(7-2)17-12-10-16(11-13-17)14-18(5,15-19)21(8-3)9-4/h10-13H,6-9,14-15,19H2,1-5H3
InChIKeyMCFQOMDPVJGERB-UHFFFAOYSA-N
XLogP3.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(diethylamino)-2-methylpropyl]-N,N-diethylaniline
CID 139644719
2-N-(cyclopropylmethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831441
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2-N-(2-ethoxyethyl)-2-N-ethyl-3-(4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831420
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-(3-amino-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 82111054
2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
CID 84746535
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-tert-butyl-N,N-diethylaniline
CID 10632068
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (CID 84752196) is 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is CCN(CC)c1ccc(CC(C)(CN)N(CC)CC)cc1.
What is the InChIKey of 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The InChIKey is MCFQOMDPVJGERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-20(7-2)17-12-10-16(11-13-17)14-18(5,15-19)21(8-3)9-4/h10-13H,6-9,14-15,19H2,1-5H3.
What are the key properties of 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 84752196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).