N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine

C18H25NOS — CID 79810445

IUPACN-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CCOC)cc1)c1cscc1C
InChIInChI=1S/C18H25NOS/c1-4-10-19-18(17-13-21-12-14(17)2)16-7-5-15(6-8-16)9-11-20-3/h5-8,12-13,18-19H,4,9-11H2,1-3H3
InChIKeyKNMOASIIOPKSJS-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.33
Rot. Bonds8

About N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine

N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine (PubChem CID 79810445) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine
PubChem CID79810445
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CCOC)cc1)c1cscc1C
InChIInChI=1S/C18H25NOS/c1-4-10-19-18(17-13-21-12-14(17)2)16-7-5-15(6-8-16)9-11-20-3/h5-8,12-13,18-19H,4,9-11H2,1-3H3
InChIKeyKNMOASIIOPKSJS-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine
CID 43495365
[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
CID 79803069
N-[(2,6-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 116810640
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79809112
(4-methylthiophen-3-yl)-(4-propylphenyl)methanol
CID 79807812
N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489761
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
N-[(3-chloro-4-methoxyphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79802713
N-[(2,5-dichlorothiophen-3-yl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 107960737
1-(4-ethoxyphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802169
N-[(4-bromothiophen-3-yl)-phenylmethyl]propan-1-amine
CID 79595968

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine (CID 79810445) is N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(CCOC)cc1)c1cscc1C.
What is the InChIKey of N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine?
The InChIKey is KNMOASIIOPKSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-4-10-19-18(17-13-21-12-14(17)2)16-7-5-15(6-8-16)9-11-20-3/h5-8,12-13,18-19H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine?
N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 79810445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).