N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine

C17H26ClNO — CID 106205093

IUPACN-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCC1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO/c1-13(2)19-12-17(15-6-8-16(18)9-7-15)20-11-10-14-4-3-5-14/h6-9,13-14,17,19H,3-5,10-12H2,1-2H3
InChIKeyCVRBQJXZVYUEPU-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.59
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine

N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine (PubChem CID 106205093) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
PubChem CID106205093
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCC1CCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClNO/c1-13(2)19-12-17(15-6-8-16(18)9-7-15)20-11-10-14-4-3-5-14/h6-9,13-14,17,19H,3-5,10-12H2,1-2H3
InChIKeyCVRBQJXZVYUEPU-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204926
N-[2-(4-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942640
N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
CID 63475562
N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
CID 106204997
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
2-(2-cyclobutylethoxy)-N-propan-2-ylpropan-1-amine
CID 106206091
N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine
CID 106205044

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine (CID 106205093) is N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine is CC(C)NCC(OCCC1CCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine?
The InChIKey is CVRBQJXZVYUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-13(2)19-12-17(15-6-8-16(18)9-7-15)20-11-10-14-4-3-5-14/h6-9,13-14,17,19H,3-5,10-12H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine?
N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine has a molecular weight of 295.85 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 106205093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).