(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine

C17H18N2OS — CID 135145347

IUPAC(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2cnccc12)c1cccs1
InChIInChI=1S/C17H18N2OS/c1-18-9-8-16(17-6-3-11-21-17)20-15-5-2-4-13-12-19-10-7-14(13)15/h2-7,10-12,16,18H,8-9H2,1H3/t16-/m1/s1
InChIKeyMENDFCYVYYBFRD-MRXNPFEDSA-N
MW298.41 g/mol
LogP4.03
Rot. Bonds6

About (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine

(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 135145347) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID135145347
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2cnccc12)c1cccs1
InChIInChI=1S/C17H18N2OS/c1-18-9-8-16(17-6-3-11-21-17)20-15-5-2-4-13-12-19-10-7-14(13)15/h2-7,10-12,16,18H,8-9H2,1H3/t16-/m1/s1
InChIKeyMENDFCYVYYBFRD-MRXNPFEDSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 159846692
(Z)-but-2-enedioic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 23649462
N-methyl-3-(2-oxidoisoquinolin-2-ium-5-yl)oxy-3-thiophen-2-ylpropan-1-amine
CID 135145361
(3S)-3-naphthalen-1-yloxy-3-thiophen-2-yl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 57383548
2-hydroxy-2-phenylacetic acid;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 24816199
3-isoquinolin-5-yloxy-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 135145309
3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
CID 151174384
N-methyl-3-[2-[2-(methylamino)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 138738146
ethane;N-[(3S)-3-naphthalen-1-yloxy-3-thiophen-2-ylpropyl]acetamide
CID 144673562
1-isoquinolin-5-yloxy-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 166998235

Frequently Asked Questions

What is the IUPAC name of (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 135145347) is (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCC[C@@H](Oc1cccc2cnccc12)c1cccs1.
What is the InChIKey of (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is MENDFCYVYYBFRD-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-18-9-8-16(17-6-3-11-21-17)20-15-5-2-4-13-12-19-10-7-14(13)15/h2-7,10-12,16,18H,8-9H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine?
(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 298.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 135145347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).