[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine

C18H25NOS — CID 81121689

IUPAC[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2ccc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C18H25NOS/c1-11(2)13-6-7-15(16(8-13)12(3)4)18(19)17-9-14(20-5)10-21-17/h6-12,18H,19H2,1-5H3
InChIKeyMNFAEHGZEICGPN-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.05
Rot. Bonds5

About [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine

[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine (PubChem CID 81121689) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
PubChem CID81121689
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2ccc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C18H25NOS/c1-11(2)13-6-7-15(16(8-13)12(3)4)18(19)17-9-14(20-5)10-21-17/h6-12,18H,19H2,1-5H3
InChIKeyMNFAEHGZEICGPN-UHFFFAOYSA-N
XLogP5.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81127508
1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine
CID 105397471
5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 81126553
(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019103
(3-chlorothiophen-2-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 80644294
(4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81121687
(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 115858819
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677
(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine?
The IUPAC name of [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine (CID 81121689) is [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine?
The canonical SMILES for [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine is COc1csc(C(N)c2ccc(C(C)C)cc2C(C)C)c1.
What is the InChIKey of [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine?
The InChIKey is MNFAEHGZEICGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-11(2)13-6-7-15(16(8-13)12(3)4)18(19)17-9-14(20-5)10-21-17/h6-12,18H,19H2,1-5H3.
What are the key properties of [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine?
[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine has a molecular weight of 303.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81121689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).