N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine

C18H22FNS — CID 63400645

IUPACN-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2ccc(F)c(C)c2)s1)C1CC1
InChIInChI=1S/C18H22FNS/c1-3-10-20-18(13-4-5-13)17-9-8-16(21-17)14-6-7-15(19)12(2)11-14/h6-9,11,13,18,20H,3-5,10H2,1-2H3
InChIKeyRLKAIHRMYRTVJV-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.31
Rot. Bonds6

About N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine

N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine (PubChem CID 63400645) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
PubChem CID63400645
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC NameN-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(-c2ccc(F)c(C)c2)s1)C1CC1
InChIInChI=1S/C18H22FNS/c1-3-10-20-18(13-4-5-13)17-9-8-16(21-17)14-6-7-15(19)12(2)11-14/h6-9,11,13,18,20H,3-5,10H2,1-2H3
InChIKeyRLKAIHRMYRTVJV-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine (CID 63400645) is N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine is CCCNC(c1ccc(-c2ccc(F)c(C)c2)s1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is RLKAIHRMYRTVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-3-10-20-18(13-4-5-13)17-9-8-16(21-17)14-6-7-15(19)12(2)11-14/h6-9,11,13,18,20H,3-5,10H2,1-2H3.
What are the key properties of N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine?
N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63400645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).