N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine

C18H25NOS — CID 81122534

IUPACN-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)c1cc(OC)cs1
InChIInChI=1S/C18H25NOS/c1-5-8-19-17(18-11-16(20-4)12-21-18)10-15-9-13(2)6-7-14(15)3/h6-7,9,11-12,17,19H,5,8,10H2,1-4H3
InChIKeyOXUUZQJGSCRCIT-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.66
Rot. Bonds7

About N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine

N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine (PubChem CID 81122534) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
PubChem CID81122534
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)c1cc(OC)cs1
InChIInChI=1S/C18H25NOS/c1-5-8-19-17(18-11-16(20-4)12-21-18)10-15-9-13(2)6-7-14(15)3/h6-7,9,11-12,17,19H,5,8,10H2,1-4H3
InChIKeyOXUUZQJGSCRCIT-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxythiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81123059
2-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-4-methoxythiophene
CID 81129061
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115841074
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 102828833
N-[2-(2,5-dimethylphenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163554
2-(2,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 61481816
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 115840276
1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 115854337
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine (CID 81122534) is N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1C)c1cc(OC)cs1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is OXUUZQJGSCRCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-8-19-17(18-11-16(20-4)12-21-18)10-15-9-13(2)6-7-14(15)3/h6-7,9,11-12,17,19H,5,8,10H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine?
N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81122534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).