N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine

C14H16ClNS — CID 80529572

IUPACN-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1sccc1Cl
InChIInChI=1S/C14H16ClNS/c1-2-9-16-13(11-6-4-3-5-7-11)14-12(15)8-10-17-14/h3-8,10,13,16H,2,9H2,1H3
InChIKeyIWSVSSFVFBZJNK-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.49
Rot. Bonds5

About N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine

N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine (PubChem CID 80529572) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
PubChem CID80529572
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC NameN-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1sccc1Cl
InChIInChI=1S/C14H16ClNS/c1-2-9-16-13(11-6-4-3-5-7-11)14-12(15)8-10-17-14/h3-8,10,13,16H,2,9H2,1H3
InChIKeyIWSVSSFVFBZJNK-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345
N-[(3-chlorothiophen-2-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 80644875
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
N-[(2-bromophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80529530
N-[(3-chlorothiophen-2-yl)-(4-methylsulfonylphenyl)methyl]propan-1-amine
CID 80529064
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-[(3-chlorothiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018339
N-[(3-chlorothiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 80529576
N-[(3-chlorothiophen-2-yl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 80529364
N-[(3-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477482
N-[(2-chloro-3-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 81453511
N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 80528847

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine (CID 80529572) is N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine?
The InChIKey is IWSVSSFVFBZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-2-9-16-13(11-6-4-3-5-7-11)14-12(15)8-10-17-14/h3-8,10,13,16H,2,9H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine?
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 4.49, 5 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)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 80529572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).