2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine

C14H17ClN2S — CID 81322136

IUPAC2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESNCc1ccccc1CCNCc1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2S/c15-14-6-5-13(18-14)10-17-8-7-11-3-1-2-4-12(11)9-16/h1-6,17H,7-10,16H2
InChIKeyKUYCZBQNPZUFBJ-UHFFFAOYSA-N
MW280.82 g/mol
LogP3.19
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine

2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine (PubChem CID 81322136) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
PubChem CID81322136
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
SMILESNCc1ccccc1CCNCc1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2S/c15-14-6-5-13(18-14)10-17-8-7-11-3-1-2-4-12(11)9-16/h1-6,17H,7-10,16H2
InChIKeyKUYCZBQNPZUFBJ-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
4-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485255
methyl 2-[2-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]phenyl]acetate
CID 106036894
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60743977
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
4-[(5-chlorothiophen-2-yl)methylamino]butanamide
CID 60863033
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60752480
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
1-(5-chlorothiophen-2-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine
CID 55684111
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 113223446

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine (CID 81322136) is 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine is NCc1ccccc1CCNCc1ccc(Cl)s1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
The InChIKey is KUYCZBQNPZUFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c15-14-6-5-13(18-14)10-17-8-7-11-3-1-2-4-12(11)9-16/h1-6,17H,7-10,16H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine?
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine has a molecular weight of 280.82 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81322136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).