[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine

C16H21NOS — CID 98019630

IUPAC[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine
SMILESCOc1cc(C)c(-c2cscc2CN)cc1C(C)C
InChIInChI=1S/C16H21NOS/c1-10(2)13-6-14(11(3)5-16(13)18-4)15-9-19-8-12(15)7-17/h5-6,8-10H,7,17H2,1-4H3
InChIKeyRRWPMRVVPCKSDP-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.31
Rot. Bonds4

About [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine

[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine (PubChem CID 98019630) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine
PubChem CID98019630
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine
SMILESCOc1cc(C)c(-c2cscc2CN)cc1C(C)C
InChIInChI=1S/C16H21NOS/c1-10(2)13-6-14(11(3)5-16(13)18-4)15-9-19-8-12(15)7-17/h5-6,8-10H,7,17H2,1-4H3
InChIKeyRRWPMRVVPCKSDP-UHFFFAOYSA-N
XLogP4.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine with MolForge

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Related Compounds

[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine
CID 82479970
[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 39103679
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methyl-1,2-oxazole
CID 116868925
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 96668566
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 95452248
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine?
The IUPAC name of [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine (CID 98019630) is [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine.
What is the SMILES notation for [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine?
The canonical SMILES for [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine is COc1cc(C)c(-c2cscc2CN)cc1C(C)C.
What is the InChIKey of [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine?
The InChIKey is RRWPMRVVPCKSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-10(2)13-6-14(11(3)5-16(13)18-4)15-9-19-8-12(15)7-17/h5-6,8-10H,7,17H2,1-4H3.
What are the key properties of [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine?
[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine is sourced from PubChem (CID 98019630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).