N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine

C17H28ClNO2 — CID 103490153

IUPACN-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCCOCC(C)OC(CNC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO2/c1-6-20-12-13(2)21-16(11-19-17(3,4)5)14-7-9-15(18)10-8-14/h7-10,13,16,19H,6,11-12H2,1-5H3
InChIKeyOBXJMWCPYBIKOI-UHFFFAOYSA-N
MW313.87 g/mol
LogP4.21
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine

N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine (PubChem CID 103490153) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine
PubChem CID103490153
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC NameN-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine
SMILESCCOCC(C)OC(CNC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO2/c1-6-20-12-13(2)21-16(11-19-17(3,4)5)14-7-9-15(18)10-8-14/h7-10,13,16,19H,6,11-12H2,1-5H3
InChIKeyOBXJMWCPYBIKOI-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

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Related Compounds

N-[2-(4-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
CID 102984751
2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103486931
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]-2-methylpropan-2-amine
CID 62108579
2-(1-ethoxypropan-2-yloxy)-2-(4-methoxyphenyl)-N-methylethanamine
CID 103490183
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
N-tert-butyl-2-(1-ethoxypropan-2-yloxy)butan-1-amine
CID 103490581
N-[2-(3-chlorophenyl)-2-(4-methylpentan-2-yloxy)ethyl]-2-methylpropan-2-amine
CID 63476220
2-(4-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361887
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
CID 103984798
1-[2-bromo-1-(1-ethoxypropan-2-yloxy)ethyl]-4-fluorobenzene
CID 103490073

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine (CID 103490153) is N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine is CCOCC(C)OC(CNC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is OBXJMWCPYBIKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-6-20-12-13(2)21-16(11-19-17(3,4)5)14-7-9-15(18)10-8-14/h7-10,13,16,19H,6,11-12H2,1-5H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine?
N-[2-(4-chlorophenyl)-2-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-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-(1-ethoxypropan-2-yloxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103490153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).