N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine

C18H23NOS — CID 62516670

IUPACN-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine
SMILESCOc1ccccc1CC(CNC1CC1)Cc1cccs1
InChIInChI=1S/C18H23NOS/c1-20-18-7-3-2-5-15(18)11-14(13-19-16-8-9-16)12-17-6-4-10-21-17/h2-7,10,14,16,19H,8-9,11-13H2,1H3
InChIKeyOAMSCKNHZXTKRY-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.91
Rot. Bonds8

About N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine

N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine (PubChem CID 62516670) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine
PubChem CID62516670
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine
SMILESCOc1ccccc1CC(CNC1CC1)Cc1cccs1
InChIInChI=1S/C18H23NOS/c1-20-18-7-3-2-5-15(18)11-14(13-19-16-8-9-16)12-17-6-4-10-21-17/h2-7,10,14,16,19H,8-9,11-13H2,1H3
InChIKeyOAMSCKNHZXTKRY-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine 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

N-[2-(cyclopentylmethyl)-3-(2-methoxyphenyl)propyl]cyclopropanamine
CID 62514068
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794367
N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 115979389
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
N-[2-(4-methylphenyl)-3-thiophen-2-ylpropyl]cyclopropanamine
CID 79437348
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
CID 63523373
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62717744
2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312
N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221687
2-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 62515283
N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine (CID 62516670) is N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine is COc1ccccc1CC(CNC1CC1)Cc1cccs1.
What is the InChIKey of N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine?
The InChIKey is OAMSCKNHZXTKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-20-18-7-3-2-5-15(18)11-14(13-19-16-8-9-16)12-17-6-4-10-21-17/h2-7,10,14,16,19H,8-9,11-13H2,1H3.
What are the key properties of N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine?
N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine has a molecular weight of 301.46 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxyphenyl)methyl]-3-thiophen-2-ylpropyl]cyclopropanamine is sourced from PubChem (CID 62516670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).