N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine

C17H28ClNO2 — CID 115942640

IUPACN-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCC(OCCOC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO2/c1-13(2)19-12-16(14-6-8-15(18)9-7-14)20-10-11-21-17(3,4)5/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyLULHCDBWLREJSC-UHFFFAOYSA-N
MW313.87 g/mol
LogP4.21
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine

N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine (PubChem CID 115942640) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
PubChem CID115942640
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC NameN-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCC(OCCOC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO2/c1-13(2)19-12-16(14-6-8-15(18)9-7-14)20-10-11-21-17(3,4)5/h6-9,13,16,19H,10-12H2,1-5H3
InChIKeyLULHCDBWLREJSC-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 54.21
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-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
CID 115942665
N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
CID 106205093
N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942620
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
N-[2-(3-chlorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108478
N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
N-[2-(4-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethyl]propan-2-amine
CID 82783070
N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
CID 82962987
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine (CID 115942640) is N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine is CC(C)NCC(OCCOC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is LULHCDBWLREJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-13(2)19-12-16(14-6-8-15(18)9-7-14)20-10-11-21-17(3,4)5/h6-9,13,16,19H,10-12H2,1-5H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine?
N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 313.87 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 115942640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).