1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

C17H23NS — CID 43483023

IUPAC1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCCC(C)c1ccc(C(NC)c2ccc(C)s2)cc1
InChIInChI=1S/C17H23NS/c1-5-12(2)14-7-9-15(10-8-14)17(18-4)16-11-6-13(3)19-16/h6-12,17-18H,5H2,1-4H3
InChIKeyMNEUKWJUYKVCHT-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.88
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine

1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 43483023) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
PubChem CID43483023
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCCC(C)c1ccc(C(NC)c2ccc(C)s2)cc1
InChIInChI=1S/C17H23NS/c1-5-12(2)14-7-9-15(10-8-14)17(18-4)16-11-6-13(3)19-16/h6-12,17-18H,5H2,1-4H3
InChIKeyMNEUKWJUYKVCHT-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-butan-2-ylphenyl)-chloromethyl]-5-methylthiophene
CID 63429994
1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393747
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81290075
N-methyl-1-(5-methylthiophen-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991248
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
N-[(4-butan-2-ylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 63507930
1-(5-bromothiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480371
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 114874222
N-methyl-1-(5-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
CID 82237920
1-(4-butan-2-ylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43483063
1-(4-butan-2-ylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63509751

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (CID 43483023) is 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is CCC(C)c1ccc(C(NC)c2ccc(C)s2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is MNEUKWJUYKVCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-5-12(2)14-7-9-15(10-8-14)17(18-4)16-11-6-13(3)19-16/h6-12,17-18H,5H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 273.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43483023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).