(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine

C16H15NOS — CID 171212951

IUPAC(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2ccccc2c1[C@H](N)c1cccs1
InChIInChI=1S/C16H15NOS/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)16(17)14-7-4-10-19-14/h2-10,16H,17H2,1H3/t16-/m1/s1
InChIKeyJFOHKJSQPVCFHM-MRXNPFEDSA-N
MW269.37 g/mol
LogP3.96
Rot. Bonds3

About (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine

(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine (PubChem CID 171212951) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
PubChem CID171212951
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2ccccc2c1[C@H](N)c1cccs1
InChIInChI=1S/C16H15NOS/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)16(17)14-7-4-10-19-14/h2-10,16H,17H2,1H3/t16-/m1/s1
InChIKeyJFOHKJSQPVCFHM-MRXNPFEDSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine
CID 171232570
(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171213408
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanol
CID 708237
1-[(R)-amino(thiophen-2-yl)methyl]naphthalen-2-ol
CID 171232072
1-[(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethyl]piperazine
CID 171294727
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
2-[(S)-amino(thiophen-2-yl)methyl]-3-bromo-6-methoxyphenol
CID 171257578
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946
(1S)-2,2,3,3,3-pentafluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine
CID 171311917

Frequently Asked Questions

What is the IUPAC name of (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine (CID 171212951) is (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine is COc1ccc2ccccc2c1[C@H](N)c1cccs1.
What is the InChIKey of (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine?
The InChIKey is JFOHKJSQPVCFHM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NOS/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)16(17)14-7-4-10-19-14/h2-10,16H,17H2,1H3/t16-/m1/s1.
What are the key properties of (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine?
(S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-methoxynaphthalen-1-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 171212951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).