1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride

C11H19ClN2 — CID 19706422

IUPAC1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
SMILESCCC(N)N(CC)c1ccccc1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-3-11(12)13(4-2)10-8-6-5-7-9-10;/h5-9,11H,3-4,12H2,1-2H3;1H
InChIKeyRULRNYDXAJYAON-UHFFFAOYSA-N
MW214.74 g/mol
LogP2.63
Rot. Bonds4

About 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride

1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride (PubChem CID 19706422) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
PubChem CID19706422
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
SMILESCCC(N)N(CC)c1ccccc1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-3-11(12)13(4-2)10-8-6-5-7-9-10;/h5-9,11H,3-4,12H2,1-2H3;1H
InChIKeyRULRNYDXAJYAON-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
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1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673
(1S)-1-(N-ethylanilino)propane-1,3-diol
CID 124514584
N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethylaniline
CID 7061
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CID 161146216
CID 161146216

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride?
The IUPAC name of 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride (CID 19706422) is 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride.
What is the SMILES notation for 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride?
The canonical SMILES for 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride is CCC(N)N(CC)c1ccccc1.Cl.
What is the InChIKey of 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride?
The InChIKey is RULRNYDXAJYAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-3-11(12)13(4-2)10-8-6-5-7-9-10;/h5-9,11H,3-4,12H2,1-2H3;1H.
What are the key properties of 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride?
1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride is sourced from PubChem (CID 19706422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).