N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine

C14H16ClNS — CID 61222821

IUPACN-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNS/c1-11(7-13-5-6-17-10-13)16-9-12-3-2-4-14(15)8-12/h2-6,8,10-11,16H,7,9H2,1H3
InChIKeySSNRVQRRILHUFN-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.12
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61222821) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61222821
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC NameN-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNS/c1-11(7-13-5-6-17-10-13)16-9-12-3-2-4-14(15)8-12/h2-6,8,10-11,16H,7,9H2,1H3
InChIKeySSNRVQRRILHUFN-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65316175
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
N-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
1-(3-chlorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63050519
1-thiophen-3-yl-N-[(2,3,6-trichlorophenyl)methyl]propan-2-amine
CID 78943901
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 61222821) is N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is SSNRVQRRILHUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-11(7-13-5-6-17-10-13)16-9-12-3-2-4-14(15)8-12/h2-6,8,10-11,16H,7,9H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 265.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61222821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).