N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine

C17H20FNOS — CID 107170865

IUPACN-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2cc(CNC3CC3)sc2C)cc1F
InChIInChI=1S/C17H20FNOS/c1-11-3-6-15(8-17(11)18)20-10-13-7-16(21-12(13)2)9-19-14-4-5-14/h3,6-8,14,19H,4-5,9-10H2,1-2H3
InChIKeyKTSYXQZINPPCBM-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.34
Rot. Bonds6

About N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine

N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107170865) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
PubChem CID107170865
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(OCc2cc(CNC3CC3)sc2C)cc1F
InChIInChI=1S/C17H20FNOS/c1-11-3-6-15(8-17(11)18)20-10-13-7-16(21-12(13)2)9-19-14-4-5-14/h3,6-8,14,19H,4-5,9-10H2,1-2H3
InChIKeyKTSYXQZINPPCBM-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(3-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729191
N-[[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80722854
N-[[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729821
N-[[4-[(2,4-difluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80720128
N-[[4-[(2-fluoro-3-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 107661295
N-[[4-[(4-bromo-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80723282
N-[[5-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80734134
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80720787
N-[[5-methyl-4-(octoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719995
N-[[4-[2-[cyclopropyl(methyl)amino]ethoxymethyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 102741003
N-[[4-[(4-chloro-3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 82718836

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine (CID 107170865) is N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine is Cc1ccc(OCc2cc(CNC3CC3)sc2C)cc1F.
What is the InChIKey of N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is KTSYXQZINPPCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-11-3-6-15(8-17(11)18)20-10-13-7-16(21-12(13)2)9-19-14-4-5-14/h3,6-8,14,19H,4-5,9-10H2,1-2H3.
What are the key properties of N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 305.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107170865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).