N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine

C17H19ClFNS — CID 62516083

IUPACN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine
SMILESFc1ccc(CC(CNC2CC2)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C17H19ClFNS/c18-17-8-7-16(21-17)10-13(11-20-15-5-6-15)9-12-1-3-14(19)4-2-12/h1-4,7-8,13,15,20H,5-6,9-11H2
InChIKeySFDJJOJGYZXLGM-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.69
Rot. Bonds7

About N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine

N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine (PubChem CID 62516083) has the molecular formula C17H19ClFNS and a molecular weight of 323.86 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine
PubChem CID62516083
Molecular FormulaC17H19ClFNS
Molecular Weight323.86 g/mol
Exact Mass323.09
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine
SMILESFc1ccc(CC(CNC2CC2)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C17H19ClFNS/c18-17-8-7-16(21-17)10-13(11-20-15-5-6-15)9-12-1-3-14(19)4-2-12/h1-4,7-8,13,15,20H,5-6,9-11H2
InChIKeySFDJJOJGYZXLGM-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
CID 63523373
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
N-[2-[(5-bromothiophen-2-yl)methyl]-3-(3-methylphenyl)propyl]cyclopropanamine
CID 63521195
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
CID 62531192
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
CID 62430146
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 113223446
2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine (CID 62516083) is N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine is Fc1ccc(CC(CNC2CC2)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine?
The InChIKey is SFDJJOJGYZXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNS/c18-17-8-7-16(21-17)10-13(11-20-15-5-6-15)9-12-1-3-14(19)4-2-12/h1-4,7-8,13,15,20H,5-6,9-11H2.
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine?
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine has a molecular weight of 323.86 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(4-fluorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 62516083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).