N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine

C18H24FNS — CID 79431603

IUPACN-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
SMILESCC(C)(C)NCC(CCc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C18H24FNS/c1-18(2,3)20-12-16(5-4-14-10-11-21-13-14)15-6-8-17(19)9-7-15/h6-11,13,16,20H,4-5,12H2,1-3H3
InChIKeyHQJWXCKOAUNVCC-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.99
Rot. Bonds6

About N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine

N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine (PubChem CID 79431603) has the molecular formula C18H24FNS and a molecular weight of 305.46 g/mol. Its IUPAC name is N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
PubChem CID79431603
Molecular FormulaC18H24FNS
Molecular Weight305.46 g/mol
Exact Mass305.16
IUPAC NameN-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
SMILESCC(C)(C)NCC(CCc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C18H24FNS/c1-18(2,3)20-12-16(5-4-14-10-11-21-13-14)15-6-8-17(19)9-7-15/h6-11,13,16,20H,4-5,12H2,1-3H3
InChIKeyHQJWXCKOAUNVCC-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79442182
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
CID 79438111
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79437531
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-thiophen-3-ylbutan-1-amine
CID 79433559
2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
CID 79416933
N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
CID 79441057
2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
CID 79443461
2-(3-methylphenyl)-N-(2-methylpropyl)-4-thiophen-3-ylbutan-1-amine
CID 79431817
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one
CID 64757946

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine (CID 79431603) is N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine is CC(C)(C)NCC(CCc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine?
The InChIKey is HQJWXCKOAUNVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNS/c1-18(2,3)20-12-16(5-4-14-10-11-21-13-14)15-6-8-17(19)9-7-15/h6-11,13,16,20H,4-5,12H2,1-3H3.
What are the key properties of N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine?
N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine is sourced from PubChem (CID 79431603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).