N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine

C16H21NOS — CID 61058748

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(OC)c(C)c1)c1cccs1
InChIInChI=1S/C16H21NOS/c1-4-14(16-6-5-9-19-16)17-11-13-7-8-15(18-3)12(2)10-13/h5-10,14,17H,4,11H2,1-3H3
InChIKeyPDKMLRYXYVMBEJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.31
Rot. Bonds6

About N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 61058748) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID61058748
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(OC)c(C)c1)c1cccs1
InChIInChI=1S/C16H21NOS/c1-4-14(16-6-5-9-19-16)17-11-13-7-8-15(18-3)12(2)10-13/h5-10,14,17H,4,11H2,1-3H3
InChIKeyPDKMLRYXYVMBEJ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-thiophen-2-ylpropan-1-amine
CID 119110315
methyl 3-[(3,4-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43787009
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(4-methoxy-3-methylphenyl)methyl]pent-1-yn-3-amine
CID 106225233
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43093641
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 79831318
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 61058748) is N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1ccc(OC)c(C)c1)c1cccs1.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is PDKMLRYXYVMBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-14(16-6-5-9-19-16)17-11-13-7-8-15(18-3)12(2)10-13/h5-10,14,17H,4,11H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61058748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).