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

C18H19NS — CID 69260983

IUPACN-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(c1cccs1)c1cccc2ccccc12
InChIInChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
InChIKeyBAGSTHRVDRSVOR-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.64
Rot. Bonds5

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

N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine (PubChem CID 69260983) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
PubChem CID69260983
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC NameN-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
SMILESCNCCC(c1cccs1)c1cccc2ccccc12
InChIInChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
InChIKeyBAGSTHRVDRSVOR-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 44569475
(3R)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 44569440
1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one
CID 140987326
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-3-(3,4-dichlorophenyl)-N-methyl-3-naphthalen-1-ylpropan-1-amine
CID 44569481
(Z)-but-2-enedioic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 23649462
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
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
2-hydroxy-2-phenylacetic acid;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 24816199
(3S)-3-naphthalen-1-yloxy-3-thiophen-2-yl-N-(trideuteriomethyl)propan-1-amine;hydrochloride
CID 57383548

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine (CID 69260983) is N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine is CNCCC(c1cccs1)c1cccc2ccccc12.
What is the InChIKey of N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is BAGSTHRVDRSVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-19-12-11-17(18-10-5-13-20-18)16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3.
What are the key properties of N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine?
N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 69260983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).