N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine

C15H21ClFNO — CID 105395284

IUPACN-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1Cl)C1(C)CCCO1
InChIInChI=1S/C15H21ClFNO/c1-3-8-18-14(15(2)7-4-9-19-15)12-10-11(17)5-6-13(12)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3
InChIKeyALKIAPDVCMWOQZ-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.09
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine

N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 105395284) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID105395284
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)ccc1Cl)C1(C)CCCO1
InChIInChI=1S/C15H21ClFNO/c1-3-8-18-14(15(2)7-4-9-19-15)12-10-11(17)5-6-13(12)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3
InChIKeyALKIAPDVCMWOQZ-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105397915
N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 82771870
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105399198
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 102619155
N-[2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-2-yl)ethyl]propan-1-amine
CID 106867367
N-[1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 81153718
N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684788
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 114730077
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80685124

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine (CID 105395284) is N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(F)ccc1Cl)C1(C)CCCO1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is ALKIAPDVCMWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-3-8-18-14(15(2)7-4-9-19-15)12-10-11(17)5-6-13(12)16/h5-6,10,14,18H,3-4,7-9H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 285.79 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105395284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).