N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine

C16H21NOS — CID 104988346

IUPACN-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H21NOS/c1-4-8-17-16(14-7-9-19-11-14)13-6-5-12(2)15(10-13)18-3/h5-7,9-11,16-17H,4,8H2,1-3H3
InChIKeyVFMGNWCJVBYEGQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.15
Rot. Bonds6

About N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine

N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 104988346) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID104988346
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H21NOS/c1-4-8-17-16(14-7-9-19-11-14)13-6-5-12(2)15(10-13)18-3/h5-7,9-11,16-17H,4,8H2,1-3H3
InChIKeyVFMGNWCJVBYEGQ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-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

N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43493887
N-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methyl]propan-1-amine
CID 102764059
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 82808330
N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine
CID 43495365
N-[(3-methoxy-4-methylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991351
1-(3,4-dimethoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 43481131
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine (CID 104988346) is N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1ccc(C)c(OC)c1.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is VFMGNWCJVBYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-8-17-16(14-7-9-19-11-14)13-6-5-12(2)15(10-13)18-3/h5-7,9-11,16-17H,4,8H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 104988346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).