N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine

C17H23Cl2NO — CID 104509663

IUPACN-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(Cl)cc2Cl)CCOC1C1CC1
InChIInChI=1S/C17H23Cl2NO/c1-2-20-11-17(7-8-21-16(17)12-3-4-12)10-13-5-6-14(18)9-15(13)19/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3
InChIKeyZYOMWPYYLIMNDL-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.33
Rot. Bonds6

About N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine

N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 104509663) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID104509663
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC NameN-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(Cl)cc2Cl)CCOC1C1CC1
InChIInChI=1S/C17H23Cl2NO/c1-2-20-11-17(7-8-21-16(17)12-3-4-12)10-13-5-6-14(18)9-15(13)19/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3
InChIKeyZYOMWPYYLIMNDL-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
1-[3-[(4-chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]-N-methylmethanamine
CID 114858962
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114858971
[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 106869658
N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
CID 104509700
N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 55131600
3-[(4-bromo-2-chlorophenyl)methyl]-3-(bromomethyl)-2-cyclopropyloxolane
CID 113471676
N-[[2-cyclopropyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509765
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
[3-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanol
CID 104510431
N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
CID 104509696

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine (CID 104509663) is N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2ccc(Cl)cc2Cl)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is ZYOMWPYYLIMNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-2-20-11-17(7-8-21-16(17)12-3-4-12)10-13-5-6-14(18)9-15(13)19/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 328.28 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 104509663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).