N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine

C17H23NOS — CID 65444462

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCOc1ccc(CCNC(C)Cc2ccc(C)s2)cc1
InChIInChI=1S/C17H23NOS/c1-13(12-17-9-4-14(2)20-17)18-11-10-15-5-7-16(19-3)8-6-15/h4-9,13,18H,10-12H2,1-3H3
InChIKeyIKZBQSCNPSJJMO-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine

N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 65444462) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID65444462
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCOc1ccc(CCNC(C)Cc2ccc(C)s2)cc1
InChIInChI=1S/C17H23NOS/c1-13(12-17-9-4-14(2)20-17)18-11-10-15-5-7-16(19-3)8-6-15/h4-9,13,18H,10-12H2,1-3H3
InChIKeyIKZBQSCNPSJJMO-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-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

(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 103779248
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 106042738
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 43536651
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
(E)-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-en-1-amine
CID 81429947

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine (CID 65444462) is N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine is COc1ccc(CCNC(C)Cc2ccc(C)s2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is IKZBQSCNPSJJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(12-17-9-4-14(2)20-17)18-11-10-15-5-7-16(19-3)8-6-15/h4-9,13,18H,10-12H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 65444462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).