1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine

C17H22ClNS — CID 43287799

IUPAC1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cccc(Cl)c2C)s1
InChIInChI=1S/C17H22ClNS/c1-4-11-19-15(5-2)17-10-9-16(20-17)13-7-6-8-14(18)12(13)3/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyYNTDDELNFZDASM-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.83
Rot. Bonds6

About 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine

1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine (PubChem CID 43287799) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
PubChem CID43287799
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cccc(Cl)c2C)s1
InChIInChI=1S/C17H22ClNS/c1-4-11-19-15(5-2)17-10-9-16(20-17)13-7-6-8-14(18)12(13)3/h6-10,15,19H,4-5,11H2,1-3H3
InChIKeyYNTDDELNFZDASM-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287611
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288164
1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43288036
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43438630
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 107586228
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
N-[(5-bromothiophen-2-yl)-(3-chloro-2-methylphenyl)methyl]propan-1-amine
CID 107096496
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 107103011

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine (CID 43287799) is 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2cccc(Cl)c2C)s1.
What is the InChIKey of 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The InChIKey is YNTDDELNFZDASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-4-11-19-15(5-2)17-10-9-16(20-17)13-7-6-8-14(18)12(13)3/h6-10,15,19H,4-5,11H2,1-3H3.
What are the key properties of 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine has a molecular weight of 307.89 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 43287799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).