2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride

C16H28Cl2N2O — CID 2995241

IUPAC2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
SMILESCC(C)c1ccc(CNCCN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C16H26N2O.2ClH/c1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;;/h3-6,14,17H,7-13H2,1-2H3;2*1H
InChIKeyKFRPQFKTFHYOKF-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.08
Rot. Bonds6

About 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride

2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride (PubChem CID 2995241) has the molecular formula C16H28Cl2N2O and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
PubChem CID2995241
Molecular FormulaC16H28Cl2N2O
Molecular Weight335.32 g/mol
Exact Mass334.16
IUPAC Name2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
SMILESCC(C)c1ccc(CNCCN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C16H26N2O.2ClH/c1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;;/h3-6,14,17H,7-13H2,1-2H3;2*1H
InChIKeyKFRPQFKTFHYOKF-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 115523459
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109016776
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride?
The IUPAC name of 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride (CID 2995241) is 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride?
The canonical SMILES for 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride is CC(C)c1ccc(CNCCN2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride?
The InChIKey is KFRPQFKTFHYOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.2ClH/c1-14(2)16-5-3-15(4-6-16)13-17-7-8-18-9-11-19-12-10-18;;/h3-6,14,17H,7-13H2,1-2H3;2*1H.
What are the key properties of 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride?
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride has a molecular weight of 335.32 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride is sourced from PubChem (CID 2995241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).