N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride

C13H24ClNO2 — CID 173404840

IUPACN-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride
SMILESCCOC(C)NC(C)(C)c1ccccc1.Cl.O
InChIInChI=1S/C13H21NO.ClH.H2O/c1-5-15-11(2)14-13(3,4)12-9-7-6-8-10-12;;/h6-11,14H,5H2,1-4H3;1H;1H2
InChIKeyIZCWNOCRYCSLCL-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.49
Rot. Bonds5

About N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride

N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride (PubChem CID 173404840) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride.

Molecular Properties

Compound NameN-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride
PubChem CID173404840
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC NameN-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride
SMILESCCOC(C)NC(C)(C)c1ccccc1.Cl.O
InChIInChI=1S/C13H21NO.ClH.H2O/c1-5-15-11(2)14-13(3,4)12-9-7-6-8-10-12;;/h6-11,14H,5H2,1-4H3;1H;1H2
InChIKeyIZCWNOCRYCSLCL-UHFFFAOYSA-N
XLogP2.49
TPSA52.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.49
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

ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate
CID 131738265
1-phenyl-N-(2-phenylpropan-2-yl)propan-2-amine
CID 22460109
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
(3,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 154351099
1-methoxy-1-(1-methoxyethoxymethoxy)ethane;bis(2-methylbutan-2-ylbenzene)
CID 91407102
N,2,4-trimethyl-2-phenylhexan-3-amine
CID 79446708
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
CID 105057990
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
O-ethyl N-(2-phenylpropan-2-yl)carbamothioate
CID 101474964
2-ethylperoxypropan-2-ylbenzene
CID 14923166
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701331

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride?
The IUPAC name of N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride (CID 173404840) is N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride.
What is the SMILES notation for N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride?
The canonical SMILES for N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride is CCOC(C)NC(C)(C)c1ccccc1.Cl.O.
What is the InChIKey of N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride?
The InChIKey is IZCWNOCRYCSLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.ClH.H2O/c1-5-15-11(2)14-13(3,4)12-9-7-6-8-10-12;;/h6-11,14H,5H2,1-4H3;1H;1H2.
What are the key properties of N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride?
N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride has a molecular weight of 261.79 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)-2-phenylpropan-2-amine;hydrate;hydrochloride is sourced from PubChem (CID 173404840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).