N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine

C14H20FNOS — CID 102671616

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine
SMILESCOc1ccc(F)cc1C(C)NC1CCSC1C
InChIInChI=1S/C14H20FNOS/c1-9(16-13-6-7-18-10(13)2)12-8-11(15)4-5-14(12)17-3/h4-5,8-10,13,16H,6-7H2,1-3H3
InChIKeyICKKQQJLTQMFGR-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine (PubChem CID 102671616) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine
PubChem CID102671616
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine
SMILESCOc1ccc(F)cc1C(C)NC1CCSC1C
InChIInChI=1S/C14H20FNOS/c1-9(16-13-6-7-18-10(13)2)12-8-11(15)4-5-14(12)17-3/h4-5,8-10,13,16H,6-7H2,1-3H3
InChIKeyICKKQQJLTQMFGR-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 81345182
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80704998
N-[(5-fluoro-2-methoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 82770730
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-cyclopropyl-3-[1-(5-fluoro-2-methoxyphenyl)ethyl]thiourea
CID 75415350
2-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 43701042
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine (CID 102671616) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine is COc1ccc(F)cc1C(C)NC1CCSC1C.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine?
The InChIKey is ICKKQQJLTQMFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-9(16-13-6-7-18-10(13)2)12-8-11(15)4-5-14(12)17-3/h4-5,8-10,13,16H,6-7H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine has a molecular weight of 269.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 102671616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).