1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine

C14H19ClFNO — CID 114104480

IUPAC1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine
SMILESCCC1OCCC1C(NC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFNO/c1-3-13-11(6-7-18-13)14(17-2)10-5-4-9(15)8-12(10)16/h4-5,8,11,13-14,17H,3,6-7H2,1-2H3
InChIKeyKBTOYOASXTZZMF-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine (PubChem CID 114104480) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine
PubChem CID114104480
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine
SMILESCCC1OCCC1C(NC)c1ccc(Cl)cc1F
InChIInChI=1S/C14H19ClFNO/c1-3-13-11(6-7-18-13)14(17-2)10-5-4-9(15)8-12(10)16/h4-5,8,11,13-14,17H,3,6-7H2,1-2H3
InChIKeyKBTOYOASXTZZMF-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105022561
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493
[2-(2,5-dichlorophenyl)-1-(2-ethyloxolan-3-yl)ethyl]hydrazine
CID 114104820
(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine
CID 114104288
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 107476133
1-(4-chloro-2-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
CID 105173580
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 105022709
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 81045363
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79758597
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104181

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine (CID 114104480) is 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine is CCC1OCCC1C(NC)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine?
The InChIKey is KBTOYOASXTZZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-3-13-11(6-7-18-13)14(17-2)10-5-4-9(15)8-12(10)16/h4-5,8,11,13-14,17H,3,6-7H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine has a molecular weight of 271.76 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(2-ethyloxolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 114104480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).