N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine

C18H19NOS — CID 59403145

IUPACN-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine
SMILESCNCCC(Oc1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NOS/c1-19-11-10-17(20-18-7-4-12-21-18)16-9-8-14-5-2-3-6-15(14)13-16/h2-9,12-13,17,19H,10-11H2,1H3
InChIKeyFDKKJGRMHZJUOK-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.63
Rot. Bonds6

About N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine

N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine (PubChem CID 59403145) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine
PubChem CID59403145
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine
SMILESCNCCC(Oc1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C18H19NOS/c1-19-11-10-17(20-18-7-4-12-21-18)16-9-8-14-5-2-3-6-15(14)13-16/h2-9,12-13,17,19H,10-11H2,1H3
InChIKeyFDKKJGRMHZJUOK-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 161149333
3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 159228228
N-benzyl-3-naphthalen-2-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 70269561
(2R)-2-ethoxy-N-methyl-2-naphthalen-2-ylethanamine
CID 95001736
3-(4-chloronaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 15015312
(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
CID 11609028
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
(3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 58630752
4-(methylamino)-2-naphthalen-2-yloxybutanoic acid
CID 112519133
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
(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol;3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine;(3S)-N-methyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 158318321

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine?
The IUPAC name of N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine (CID 59403145) is N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine.
What is the SMILES notation for N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine?
The canonical SMILES for N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine is CNCCC(Oc1cccs1)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine?
The InChIKey is FDKKJGRMHZJUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-11-10-17(20-18-7-4-12-21-18)16-9-8-14-5-2-3-6-15(14)13-16/h2-9,12-13,17,19H,10-11H2,1H3.
What are the key properties of N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine?
N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-naphthalen-2-yl-3-thiophen-2-yloxypropan-1-amine is sourced from PubChem (CID 59403145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).