2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine

C17H23NS — CID 65430973

IUPAC2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
SMILESCC(C)NCC(CCc1cccs1)c1ccccc1
InChIInChI=1S/C17H23NS/c1-14(2)18-13-16(15-7-4-3-5-8-15)10-11-17-9-6-12-19-17/h3-9,12,14,16,18H,10-11,13H2,1-2H3
InChIKeyFCLYHWQTESQODZ-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.46
Rot. Bonds7

About 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine

2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine (PubChem CID 65430973) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
PubChem CID65430973
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
SMILESCC(C)NCC(CCc1cccs1)c1ccccc1
InChIInChI=1S/C17H23NS/c1-14(2)18-13-16(15-7-4-3-5-8-15)10-11-17-9-6-12-19-17/h3-9,12,14,16,18H,10-11,13H2,1-2H3
InChIKeyFCLYHWQTESQODZ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 81024822
4-phenyl-1-thiophen-2-ylpentan-3-ol
CID 65149511
2-phenyl-N-propan-2-ylundecan-1-amine
CID 65429308
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
CID 79433328
1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116773230
2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 79435475
N,2-dimethyl-N'-propan-2-yl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62420411

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine (CID 65430973) is 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine is CC(C)NCC(CCc1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is FCLYHWQTESQODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-14(2)18-13-16(15-7-4-3-5-8-15)10-11-17-9-6-12-19-17/h3-9,12,14,16,18H,10-11,13H2,1-2H3.
What are the key properties of 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine?
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 273.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 65430973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).