(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine

C16H15NOS — CID 171199401

IUPAC(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2cc([C@H](N)c3cccs3)ccc2c1
InChIInChI=1S/C16H15NOS/c1-18-14-7-6-11-9-13(5-4-12(11)10-14)16(17)15-3-2-8-19-15/h2-10,16H,17H2,1H3/t16-/m0/s1
InChIKeyIUURHRSKVGKXKC-INIZCTEOSA-N
MW269.37 g/mol
LogP3.96
Rot. Bonds3

About (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine

(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine (PubChem CID 171199401) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
PubChem CID171199401
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine
SMILESCOc1ccc2cc([C@H](N)c3cccs3)ccc2c1
InChIInChI=1S/C16H15NOS/c1-18-14-7-6-11-9-13(5-4-12(11)10-14)16(17)15-3-2-8-19-15/h2-10,16H,17H2,1H3/t16-/m0/s1
InChIKeyIUURHRSKVGKXKC-INIZCTEOSA-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)-(4-methoxy-2-methylphenyl)-thiophen-2-ylmethanamine
CID 93054120
(R)-(6-methoxynaphthalen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218929
2-[(R)-amino(thiophen-2-yl)methyl]-5-methoxyphenol;hydrochloride
CID 171220205
(R)-(3-bromo-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171225500
4-[(S)-amino(thiophen-2-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171203101
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(S)-(2-fluoro-4-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171200089
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18161802
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
CID 67595197
methoxy-(6-methoxynaphthalen-2-yl)methanamine
CID 116947369
amino-(6-methoxynaphthalen-2-yl)methanol
CID 116939708
(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine
CID 102696285

Frequently Asked Questions

What is the IUPAC name of (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine (CID 171199401) is (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine is COc1ccc2cc([C@H](N)c3cccs3)ccc2c1.
What is the InChIKey of (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine?
The InChIKey is IUURHRSKVGKXKC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15NOS/c1-18-14-7-6-11-9-13(5-4-12(11)10-14)16(17)15-3-2-8-19-15/h2-10,16H,17H2,1H3/t16-/m0/s1.
What are the key properties of (S)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine?
(S)-(6-methoxynaphthalen-2-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)-(6-methoxynaphthalen-2-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 171199401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).