3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine

C14H16ClNS — CID 82091891

IUPAC3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CCN)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNS/c1-10-2-4-11(5-3-10)12(8-9-16)13-6-7-14(15)17-13/h2-7,12H,8-9,16H2,1H3
InChIKeyMUQXUNVOZTUXED-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.19
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine

3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 82091891) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
PubChem CID82091891
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(CCN)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNS/c1-10-2-4-11(5-3-10)12(8-9-16)13-6-7-14(15)17-13/h2-7,12H,8-9,16H2,1H3
InChIKeyMUQXUNVOZTUXED-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 82092111
(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
CID 43114608
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43329248
3,3-bis(4-chlorophenyl)propan-1-amine
CID 15014585
3-(4-methylphenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
CID 115039140
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine
CID 117032666
2-(5-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanamine
CID 83987226
3-(4-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 115037927

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine (CID 82091891) is 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc(C(CCN)c2ccc(Cl)s2)cc1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is MUQXUNVOZTUXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10-2-4-11(5-3-10)12(8-9-16)13-6-7-14(15)17-13/h2-7,12H,8-9,16H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine?
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 82091891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).