N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine

C14H15ClFNS — CID 43495934

IUPACN-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNS/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyPIFLQKXZSHEXAA-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.63
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine

N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 43495934) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID43495934
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC NameN-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFNS/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyPIFLQKXZSHEXAA-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 105399182
N-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490583
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(4-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859188
N-[(4-chloro-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 43496871
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
N-[(4-chloro-2-fluorophenyl)-(2,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 105173619
N-[(3-bromo-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 106645278
N-[(2-chloro-4,5-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 107476439
N-[(2,5-dibromothiophen-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43497839
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859194

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine (CID 43495934) is N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is PIFLQKXZSHEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 283.80 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 43495934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).