1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine

C14H16ClNS — CID 107102339

IUPAC1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
SMILESCc1c(Cl)cccc1C(N)CCc1ccsc1
InChIInChI=1S/C14H16ClNS/c1-10-12(3-2-4-13(10)15)14(16)6-5-11-7-8-17-9-11/h2-4,7-9,14H,5-6,16H2,1H3
InChIKeyKEVPLIVHSDBKRN-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.34
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine

1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine (PubChem CID 107102339) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
PubChem CID107102339
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
SMILESCc1c(Cl)cccc1C(N)CCc1ccsc1
InChIInChI=1S/C14H16ClNS/c1-10-12(3-2-4-13(10)15)14(16)6-5-11-7-8-17-9-11/h2-4,7-9,14H,5-6,16H2,1H3
InChIKeyKEVPLIVHSDBKRN-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857115
1-(2-methylsulfanylphenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857234
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 104789822
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
1-(2,3-dichlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857101
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
1-(5-chlorofuran-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 106692043
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine (CID 107102339) is 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine is Cc1c(Cl)cccc1C(N)CCc1ccsc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine?
The InChIKey is KEVPLIVHSDBKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-10-12(3-2-4-13(10)15)14(16)6-5-11-7-8-17-9-11/h2-4,7-9,14H,5-6,16H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine?
1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 107102339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).