2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine

C19H21NS — CID 80526416

IUPAC2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C19H21NS/c1-19(2,18-11-6-12-21-18)14-20-13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12,20H,13-14H2,1-2H3
InChIKeyOBXDWOHZVQPORU-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.97
Rot. Bonds5

About 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine

2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 80526416) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID80526416
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCC(C)(CNCc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C19H21NS/c1-19(2,18-11-6-12-21-18)14-20-13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12,20H,13-14H2,1-2H3
InChIKeyOBXDWOHZVQPORU-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(quinolin-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 79032042
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963178
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114842503
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 78963459
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526354
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 79032921
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 81419243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine (CID 80526416) is 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine is CC(C)(CNCc1cccc2ccccc12)c1cccs1.
What is the InChIKey of 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is OBXDWOHZVQPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-19(2,18-11-6-12-21-18)14-20-13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12,20H,13-14H2,1-2H3.
What are the key properties of 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine?
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 80526416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).