N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine

C18H25NOS — CID 65237138

IUPACN-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)s1)c1cc(C)ccc1OC
InChIInChI=1S/C18H25NOS/c1-6-9-19-18(17-11-13(3)14(4)21-17)15-10-12(2)7-8-16(15)20-5/h7-8,10-11,18-19H,6,9H2,1-5H3
InChIKeyITGVAGJTPNIUES-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.77
Rot. Bonds6

About N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine

N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine (PubChem CID 65237138) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
PubChem CID65237138
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)s1)c1cc(C)ccc1OC
InChIInChI=1S/C18H25NOS/c1-6-9-19-18(17-11-13(3)14(4)21-17)15-10-12(2)7-8-16(15)20-5/h7-8,10-11,18-19H,6,9H2,1-5H3
InChIKeyITGVAGJTPNIUES-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237089
N-[(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 65237606
N-[(2-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115800915
N-[(2,3-difluoro-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 107515366
5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene
CID 65238549
N-[(4,5-dimethylthiophen-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115851788
N-[(2-ethoxy-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63506843
N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 62505245
N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755261
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102827361
N-[(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105024816
1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 65237360

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine (CID 65237138) is N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)c(C)s1)c1cc(C)ccc1OC.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is ITGVAGJTPNIUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-6-9-19-18(17-11-13(3)14(4)21-17)15-10-12(2)7-8-16(15)20-5/h7-8,10-11,18-19H,6,9H2,1-5H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 65237138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).