N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine

C16H20ClNS — CID 105050526

IUPACN-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2sccc2Cl)c1
InChIInChI=1S/C16H20ClNS/c1-3-6-12-7-5-8-13(11-12)15(18-4-2)16-14(17)9-10-19-16/h5,7-11,15,18H,3-4,6H2,1-2H3
InChIKeyFVJDBVKBLHCUTA-UHFFFAOYSA-N
MW293.86 g/mol
LogP5.05
Rot. Bonds6

About N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 105050526) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
PubChem CID105050526
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC NameN-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2sccc2Cl)c1
InChIInChI=1S/C16H20ClNS/c1-3-6-12-7-5-8-13(11-12)15(18-4-2)16-14(17)9-10-19-16/h5,7-11,15,18H,3-4,6H2,1-2H3
InChIKeyFVJDBVKBLHCUTA-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.86
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
N-[(3-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methyl]ethanamine
CID 80528916
N-[(3-chlorothiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 80528896
N-[(3-chlorothiophen-2-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 80644875
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854136
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029
N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-[(3-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]ethanamine
CID 115853483
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine (CID 105050526) is N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)c2sccc2Cl)c1.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is FVJDBVKBLHCUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-3-6-12-7-5-8-13(11-12)15(18-4-2)16-14(17)9-10-19-16/h5,7-11,15,18H,3-4,6H2,1-2H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 293.86 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 105050526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).