1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

C18H24FNS — CID 43735078

IUPAC1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCc1ccc(C(C)NC(c2ccc(F)cc2)C(C)(C)C)s1
InChIInChI=1S/C18H24FNS/c1-12-6-11-16(21-12)13(2)20-17(18(3,4)5)14-7-9-15(19)10-8-14/h6-11,13,17,20H,1-5H3
InChIKeyDFKZWNQASPFGGH-UHFFFAOYSA-N
MW305.46 g/mol
LogP5.63
Rot. Bonds4

About 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine

1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 43735078) has the molecular formula C18H24FNS and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID43735078
Molecular FormulaC18H24FNS
Molecular Weight305.46 g/mol
Exact Mass305.16
IUPAC Name1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
SMILESCc1ccc(C(C)NC(c2ccc(F)cc2)C(C)(C)C)s1
InChIInChI=1S/C18H24FNS/c1-12-6-11-16(21-12)13(2)20-17(18(3,4)5)14-7-9-15(19)10-8-14/h6-11,13,17,20H,1-5H3
InChIKeyDFKZWNQASPFGGH-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine (CID 43735078) is 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is Cc1ccc(C(C)NC(c2ccc(F)cc2)C(C)(C)C)s1.
What is the InChIKey of 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is DFKZWNQASPFGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNS/c1-12-6-11-16(21-12)13(2)20-17(18(3,4)5)14-7-9-15(19)10-8-14/h6-11,13,17,20H,1-5H3.
What are the key properties of 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine?
1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43735078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).