1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C16H15Cl2NOS — CID 17332172

IUPAC1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1cccc(-c2ccc(CNCc3cccs3)o2)c1
InChIInChI=1S/C16H14ClNOS.ClH/c17-13-4-1-3-12(9-13)16-7-6-14(19-16)10-18-11-15-5-2-8-20-15;/h1-9,18H,10-11H2;1H
InChIKeyPNISSYQYHOTNHQ-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.37
Rot. Bonds5

About 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17332172) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID17332172
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1cccc(-c2ccc(CNCc3cccs3)o2)c1
InChIInChI=1S/C16H14ClNOS.ClH/c17-13-4-1-3-12(9-13)16-7-6-14(19-16)10-18-11-15-5-2-8-20-15;/h1-9,18H,10-11H2;1H
InChIKeyPNISSYQYHOTNHQ-UHFFFAOYSA-N
XLogP5.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213031
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 17213032
2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
CID 17156363
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine;hydrochloride
CID 163328000
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 17332172) is 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.Clc1cccc(-c2ccc(CNCc3cccs3)o2)c1.
What is the InChIKey of 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is PNISSYQYHOTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS.ClH/c17-13-4-1-3-12(9-13)16-7-6-14(19-16)10-18-11-15-5-2-8-20-15;/h1-9,18H,10-11H2;1H.
What are the key properties of 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 340.28 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17332172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).