1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine

C18H23NOS — CID 107166080

IUPAC1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESCOc1ccc2cc(C(C)NCC3CCSC3)ccc2c1
InChIInChI=1S/C18H23NOS/c1-13(19-11-14-7-8-21-12-14)15-3-4-17-10-18(20-2)6-5-16(17)9-15/h3-6,9-10,13-14,19H,7-8,11-12H2,1-2H3
InChIKeyUBCCQSBYUWIOPB-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.25
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine

1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107166080) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107166080
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine
SMILESCOc1ccc2cc(C(C)NCC3CCSC3)ccc2c1
InChIInChI=1S/C18H23NOS/c1-13(19-11-14-7-8-21-12-14)15-3-4-17-10-18(20-2)6-5-16(17)9-15/h3-6,9-10,13-14,19H,7-8,11-12H2,1-2H3
InChIKeyUBCCQSBYUWIOPB-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
(1R)-1-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132261
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropan-1-amine
CID 43190378
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
1-cyclopropyl-N-[1-(6-methoxynaphthalen-2-yl)ethyl]propan-2-amine
CID 63989530
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275
1-(3-bromo-4-methoxyphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115719847
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107165903
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine (CID 107166080) is 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine is COc1ccc2cc(C(C)NCC3CCSC3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is UBCCQSBYUWIOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13(19-11-14-7-8-21-12-14)15-3-4-17-10-18(20-2)6-5-16(17)9-15/h3-6,9-10,13-14,19H,7-8,11-12H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine?
1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107166080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).