2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine

C17H21Cl2NS — CID 63522811

IUPAC2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(Cl)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H21Cl2NS/c1-2-8-20-12-14(11-16-6-7-17(19)21-16)9-13-4-3-5-15(18)10-13/h3-7,10,14,20H,2,8-9,11-12H2,1H3
InChIKeyRSRWUYIQRWACTM-UHFFFAOYSA-N
MW342.34 g/mol
LogP5.46
Rot. Bonds8

About 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine

2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine (PubChem CID 63522811) has the molecular formula C17H21Cl2NS and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine
PubChem CID63522811
Molecular FormulaC17H21Cl2NS
Molecular Weight342.34 g/mol
Exact Mass341.08
IUPAC Name2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(Cl)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H21Cl2NS/c1-2-8-20-12-14(11-16-6-7-17(19)21-16)9-13-4-3-5-15(18)10-13/h3-7,10,14,20H,2,8-9,11-12H2,1H3
InChIKeyRSRWUYIQRWACTM-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.34
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777
2-[(3-chlorophenyl)methyl]-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62516119
4-(3-chlorophenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81015822
2-[(3-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 63521745
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
2-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-5-ethylthiophene
CID 66042924
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene
CID 66048354

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine (CID 63522811) is 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine is CCCNCC(Cc1cccc(Cl)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine?
The InChIKey is RSRWUYIQRWACTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NS/c1-2-8-20-12-14(11-16-6-7-17(19)21-16)9-13-4-3-5-15(18)10-13/h3-7,10,14,20H,2,8-9,11-12H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine?
2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine has a molecular weight of 342.34 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63522811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).