1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine

C17H22ClNS — CID 105173534

IUPAC1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1C)c1ccc(Cl)s1
InChIInChI=1S/C17H22ClNS/c1-3-12-19-15(16-10-11-17(18)20-16)9-8-14-7-5-4-6-13(14)2/h4-7,10-11,15,19H,3,8-9,12H2,1-2H3
InChIKeyDKDSZVXGFKFSAK-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.38
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine

1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine (PubChem CID 105173534) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
PubChem CID105173534
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1ccccc1C)c1ccc(Cl)s1
InChIInChI=1S/C17H22ClNS/c1-3-12-19-15(16-10-11-17(18)20-16)9-8-14-7-5-4-6-13(14)2/h4-7,10-11,15,19H,3,8-9,12H2,1-2H3
InChIKeyDKDSZVXGFKFSAK-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 105173533
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687
1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628
1-(furan-3-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105146793
N-[1-(5-chlorothiophen-2-yl)-2-(2-nitrophenyl)ethyl]propan-1-amine
CID 62277457
1-(5-chlorothiophen-2-yl)-N-propyloct-7-en-1-amine
CID 107011929
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
3-(3-methylphenyl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 105162164
2-[1-bromo-2-(2-methylphenyl)ethyl]-5-chlorothiophene
CID 63441693
1-(5-chlorothiophen-2-yl)-N,2-dipropylpentan-1-amine
CID 82984586

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine (CID 105173534) is 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine is CCCNC(CCc1ccccc1C)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is DKDSZVXGFKFSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-3-12-19-15(16-10-11-17(18)20-16)9-8-14-7-5-4-6-13(14)2/h4-7,10-11,15,19H,3,8-9,12H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine?
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 307.89 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 105173534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).