1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine

C16H21NS — CID 43393747

IUPAC1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCCC(C)c1ccc(C(NC)c2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-4-12(2)13-7-9-14(10-8-13)16(17-3)15-6-5-11-18-15/h5-12,16-17H,4H2,1-3H3
InChIKeyDFUIIMAKHKVATQ-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.57
Rot. Bonds5

About 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 43393747) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID43393747
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCCC(C)c1ccc(C(NC)c2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-4-12(2)13-7-9-14(10-8-13)16(17-3)15-6-5-11-18-15/h5-12,16-17H,4H2,1-3H3
InChIKeyDFUIIMAKHKVATQ-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
CID 7130716
1-(4-butan-2-ylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43483023
2-[[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8996919
N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 43483425
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8996916
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-(carbamoylamino)benzamide
CID 46534391
2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 8996675
N-[4-[[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 75867748
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8996748

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 43393747) is 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine is CCC(C)c1ccc(C(NC)c2cccs2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is DFUIIMAKHKVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-12(2)13-7-9-14(10-8-13)16(17-3)15-6-5-11-18-15/h5-12,16-17H,4H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(4-butan-2-ylphenyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.57, 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-thiophen-2-ylmethanamine is sourced from PubChem (CID 43393747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).