N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

C15H17ClFNS — CID 102841296

IUPACN-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)c1cccc(F)c1Cl
InChIInChI=1S/C15H17ClFNS/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(17)14(12)16/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyQJURLHBLRXZPFK-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.94
Rot. Bonds5

About N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine

N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 102841296) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID102841296
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC NameN-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccsc1C)c1cccc(F)c1Cl
InChIInChI=1S/C15H17ClFNS/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(17)14(12)16/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyQJURLHBLRXZPFK-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 81453511
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
N-[(2,5-difluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102832497
N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 81454841
N-[(2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831663
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842157
N-[(2-chloro-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 102764118
N-[(5-chloro-2-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102840443
N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
N-[(2-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 106858921

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine (CID 102841296) is N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccsc1C)c1cccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is QJURLHBLRXZPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(17)14(12)16/h4-7,9,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine?
N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 102841296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).