N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine

C14H17NS — CID 4715741

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
SMILESCc1ccc(CNCCc2ccccc2)s1
InChIInChI=1S/C14H17NS/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3
InChIKeyVJGBGYXZJYJOSL-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.39
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine

N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine (PubChem CID 4715741) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
PubChem CID4715741
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine
SMILESCc1ccc(CNCCc2ccccc2)s1
InChIInChI=1S/C14H17NS/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3
InChIKeyVJGBGYXZJYJOSL-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.39
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-benzylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55024407
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
2-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 17206586
4-[3-[(5-methylthiophen-2-yl)methylamino]propyl]aniline
CID 113290666
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
CID 46784215
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
2-(1H-indol-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2996929
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383
N-[(5-methylthiophen-2-yl)methyl]but-3-yn-1-amine
CID 63656860

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine (CID 4715741) is N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine is Cc1ccc(CNCCc2ccccc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine?
The InChIKey is VJGBGYXZJYJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 4715741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).