N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine

C16H24ClNO — CID 79757972

IUPACN-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)C1CCOC1C
InChIInChI=1S/C16H24ClNO/c1-3-9-18-16(15-8-10-19-12(15)2)11-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,3,8-11H2,1-2H3
InChIKeyYOUDXEPMNAQSTB-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 79757972) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID79757972
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)C1CCOC1C
InChIInChI=1S/C16H24ClNO/c1-3-9-18-16(15-8-10-19-12(15)2)11-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,3,8-11H2,1-2H3
InChIKeyYOUDXEPMNAQSTB-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79759444
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 115787438
2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79758998
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759747
3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
CID 105004284
N-[(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115852879
[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105283424

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine (CID 79757972) is N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)C1CCOC1C.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is YOUDXEPMNAQSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-9-18-16(15-8-10-19-12(15)2)11-13-4-6-14(17)7-5-13/h4-7,12,15-16,18H,3,8-11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79757972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).