1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine

C17H23NOS — CID 65047475

IUPAC1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
SMILESCOCC(NCc1ccc(-c2ccccc2)s1)C(C)C
InChIInChI=1S/C17H23NOS/c1-13(2)16(12-19-3)18-11-15-9-10-17(20-15)14-7-5-4-6-8-14/h4-10,13,16,18H,11-12H2,1-3H3
InChIKeyJDLDJRRSJXAXEI-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.18
Rot. Bonds7

About 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine

1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine (PubChem CID 65047475) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
PubChem CID65047475
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
SMILESCOCC(NCc1ccc(-c2ccccc2)s1)C(C)C
InChIInChI=1S/C17H23NOS/c1-13(2)16(12-19-3)18-11-15-9-10-17(20-15)14-7-5-4-6-8-14/h4-10,13,16,18H,11-12H2,1-3H3
InChIKeyJDLDJRRSJXAXEI-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
CID 43223060
(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
CID 59978709
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine (CID 65047475) is 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine is COCC(NCc1ccc(-c2ccccc2)s1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine?
The InChIKey is JDLDJRRSJXAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(2)16(12-19-3)18-11-15-9-10-17(20-15)14-7-5-4-6-8-14/h4-10,13,16,18H,11-12H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine?
1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 65047475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).