N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine

C19H34N2O2 — CID 170953319

IUPACN-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H34N2O2/c1-16(2)19-7-5-18(6-8-19)15-20-9-11-22-13-14-23-12-10-21-17(3)4/h5-8,16-17,20-21H,9-15H2,1-4H3
InChIKeyHTUOZRSXFIKRHH-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.93
Rot. Bonds13

About N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine

N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine (PubChem CID 170953319) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine
PubChem CID170953319
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC NameN-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCNCc1ccc(C(C)C)cc1
InChIInChI=1S/C19H34N2O2/c1-16(2)19-7-5-18(6-8-19)15-20-9-11-22-13-14-23-12-10-21-17(3)4/h5-8,16-17,20-21H,9-15H2,1-4H3
InChIKeyHTUOZRSXFIKRHH-UHFFFAOYSA-N
XLogP2.93
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65023956
N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
CID 2276712
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
CID 159134090
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
2-methoxy-N-[2-[2-(4-propan-2-ylphenyl)ethoxy]ethyl]ethanamine
CID 65304490
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 104561561
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine (CID 170953319) is N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOCCNCc1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is HTUOZRSXFIKRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-16(2)19-7-5-18(6-8-19)15-20-9-11-22-13-14-23-12-10-21-17(3)4/h5-8,16-17,20-21H,9-15H2,1-4H3.
What are the key properties of N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine?
N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 322.49 g/mol, XLogP of 2.93, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 170953319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).