3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine

C19H27NS — CID 43495942

IUPAC3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine
SMILESCCCNC(c1cccs1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C19H27NS/c1-4-13-20-19(17-12-9-14-21-17)18(15(3)5-2)16-10-7-6-8-11-16/h6-12,14-15,18-20H,4-5,13H2,1-3H3
InChIKeySQPDZYHSQWIQEN-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.62
Rot. Bonds8

About 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine

3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine (PubChem CID 43495942) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine
PubChem CID43495942
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine
SMILESCCCNC(c1cccs1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C19H27NS/c1-4-13-20-19(17-12-9-14-21-17)18(15(3)5-2)16-10-7-6-8-11-16/h6-12,14-15,18-20H,4-5,13H2,1-3H3
InChIKeySQPDZYHSQWIQEN-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine
CID 43490571
2-ethoxy-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 64534607
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
3,3,3-trifluoro-N-propyl-1-thiophen-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103309616
7-methyl-6-phenyl-N-propylnon-1-en-5-amine
CID 104987564
1-(3-bromothiophen-2-yl)-N,3-dimethyl-2-phenylpentan-1-amine
CID 80534878
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine?
The IUPAC name of 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine (CID 43495942) is 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine?
The canonical SMILES for 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine is CCCNC(c1cccs1)C(c1ccccc1)C(C)CC.
What is the InChIKey of 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine?
The InChIKey is SQPDZYHSQWIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-4-13-20-19(17-12-9-14-21-17)18(15(3)5-2)16-10-7-6-8-11-16/h6-12,14-15,18-20H,4-5,13H2,1-3H3.
What are the key properties of 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine?
3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-propyl-1-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 43495942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).