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

C17H26ClNO — CID 106204942

IUPACN-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCCC1CC1)c1ccccc1Cl
InChIInChI=1S/C17H26ClNO/c1-17(2,3)19-12-16(20-11-10-13-8-9-13)14-6-4-5-7-15(14)18/h4-7,13,16,19H,8-12H2,1-3H3
InChIKeyIKNBUFUPLREQFL-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.59
Rot. Bonds7

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

N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 106204942) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID106204942
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(OCCC1CC1)c1ccccc1Cl
InChIInChI=1S/C17H26ClNO/c1-17(2,3)19-12-16(20-11-10-13-8-9-13)14-6-4-5-7-15(14)18/h4-7,13,16,19H,8-12H2,1-3H3
InChIKeyIKNBUFUPLREQFL-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
2-(2-chlorophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205061
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958
N-[2-(2-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62110739
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62108652
N-[2-(2-chlorophenyl)-2-pentan-2-yloxyethyl]-2-methylpropan-2-amine
CID 102984855
2-(2-cyclopropylethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 114157889
N-[2-(2-chlorophenyl)-2-(3,3-dimethylbutoxy)ethyl]propan-2-amine
CID 66226677
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 106204944
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine (CID 106204942) is N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(OCCC1CC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is IKNBUFUPLREQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-17(2,3)19-12-16(20-11-10-13-8-9-13)14-6-4-5-7-15(14)18/h4-7,13,16,19H,8-12H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 295.85 g/mol, XLogP of 4.59, 7 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]-2-methylpropan-2-amine is sourced from PubChem (CID 106204942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).