2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine

C16H21NS — CID 65430414

IUPAC2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-13(2)17-12-15(11-16-9-6-10-18-16)14-7-4-3-5-8-14/h3-10,13,15,17H,11-12H2,1-2H3
InChIKeyIEKXQOXUEJXSQS-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.07
Rot. Bonds6

About 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine

2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine (PubChem CID 65430414) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
PubChem CID65430414
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-13(2)17-12-15(11-16-9-6-10-18-16)14-7-4-3-5-8-14/h3-10,13,15,17H,11-12H2,1-2H3
InChIKeyIEKXQOXUEJXSQS-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
N-methyl-2-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
3-(furan-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024001
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
N,N'-dimethyl-1-phenyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493768
3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 81018951
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-phenyl-N-propan-2-yl-3-(2-propylpyrazol-3-yl)propan-1-amine
CID 81027473
3-(3-methyltriazol-4-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114691554
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine (CID 65430414) is 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine is CC(C)NCC(Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is IEKXQOXUEJXSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-13(2)17-12-15(11-16-9-6-10-18-16)14-7-4-3-5-8-14/h3-10,13,15,17H,11-12H2,1-2H3.
What are the key properties of 2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine?
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.07, 6 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-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 65430414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).