N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine

C16H18FNOS — CID 107559009

IUPACN-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(OCc2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C16H18FNOS/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,5-8,12,18H,3-4,9-10H2,1H3
InChIKeyFPALQLHGPZAQHR-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.03
Rot. Bonds6

About N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107559009) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107559009
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(OCc2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C16H18FNOS/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,5-8,12,18H,3-4,9-10H2,1H3
InChIKeyFPALQLHGPZAQHR-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558731
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 64856039
N-[[5-[(2-chloro-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558290
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 64853998
N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[4-[(2,4-difluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80720128
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)propan-1-ol
CID 64856319
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
5-[(2-fluoro-5-methylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774701

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107559009) is N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine is Cc1ccc(F)c(OCc2ccc(CNC3CC3)s2)c1.
What is the InChIKey of N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is FPALQLHGPZAQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,5-8,12,18H,3-4,9-10H2,1H3.
What are the key properties of N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 291.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107559009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).