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

C16H24ClNO — CID 79759444

IUPACN-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1CCOC1C
InChIInChI=1S/C16H24ClNO/c1-3-8-18-16(15-7-9-19-12(15)2)11-13-5-4-6-14(17)10-13/h4-6,10,12,15-16,18H,3,7-9,11H2,1-2H3
InChIKeyTZTYFRMLGXVFSI-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds6

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

N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 79759444) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID79759444
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC NameN-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1)C1CCOC1C
InChIInChI=1S/C16H24ClNO/c1-3-8-18-16(15-7-9-19-12(15)2)11-13-5-4-6-14(17)10-13/h4-6,10,12,15-16,18H,3,7-9,11H2,1-2H3
InChIKeyTZTYFRMLGXVFSI-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

2-(3-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759298
N-[2-(4-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79757972
[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105283424
N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 55083879
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
N-[2-(3-chlorophenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 55150511
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79758152
N-[2-(2-bromophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 115787438
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
CID 103546384
N-[2-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 79758998
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759747

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine (CID 79759444) is N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1)C1CCOC1C.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is TZTYFRMLGXVFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-8-18-16(15-7-9-19-12(15)2)11-13-5-4-6-14(17)10-13/h4-6,10,12,15-16,18H,3,7-9,11H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(3-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-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79759444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).