N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine

C16H24ClNO — CID 106204897

IUPACN-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCC1CC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-12(2)18-11-16(19-10-9-13-7-8-13)14-5-3-4-6-15(14)17/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyHMMFJRXDUCZOTB-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.20
Rot. Bonds8

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

N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine (PubChem CID 106204897) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
PubChem CID106204897
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCC1CC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO/c1-12(2)18-11-16(19-10-9-13-7-8-13)14-5-3-4-6-15(14)17/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyHMMFJRXDUCZOTB-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204942
2-(2-chlorophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205061
N-[2-(2-chlorophenyl)-2-(3,3-dimethylbutoxy)ethyl]propan-2-amine
CID 66226677
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine
CID 62108651
N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942620
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
CID 106205093
N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
CID 106204997
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
2-(2-cyclopropylethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 114157889

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine (CID 106204897) is N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine is CC(C)NCC(OCCC1CC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine?
The InChIKey is HMMFJRXDUCZOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-12(2)18-11-16(19-10-9-13-7-8-13)14-5-3-4-6-15(14)17/h3-6,12-13,16,18H,7-11H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine?
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine has a molecular weight of 281.83 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 106204897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).