1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine

C14H16ClNOS — CID 113277151

IUPAC1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OCc1cccs1
InChIInChI=1S/C14H16ClNOS/c1-10(16)8-12-13(15)5-2-6-14(12)17-9-11-4-3-7-18-11/h2-7,10H,8-9,16H2,1H3
InChIKeySJRNEFRZDBRKER-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.87
Rot. Bonds5

About 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine

1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine (PubChem CID 113277151) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
PubChem CID113277151
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OCc1cccs1
InChIInChI=1S/C14H16ClNOS/c1-10(16)8-12-13(15)5-2-6-14(12)17-9-11-4-3-7-18-11/h2-7,10H,8-9,16H2,1H3
InChIKeySJRNEFRZDBRKER-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine 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

1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
N-[[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319226
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 114321952
3-[[2-(2-aminopropyl)-3-chlorophenoxy]methyl]benzonitrile
CID 114321709
1-[2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 114321907
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine (CID 113277151) is 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine is CC(N)Cc1c(Cl)cccc1OCc1cccs1.
What is the InChIKey of 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is SJRNEFRZDBRKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-10(16)8-12-13(15)5-2-6-14(12)17-9-11-4-3-7-18-11/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 281.81 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 113277151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).