N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine

C19H21NOS — CID 54073821

IUPACN-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
SMILESCNCCC(Oc1cccc2ccccc12)c1sccc1C
InChIInChI=1S/C19H21NOS/c1-14-11-13-22-19(14)18(10-12-20-2)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,11,13,18,20H,10,12H2,1-2H3
InChIKeyMIHXMFBSHSEQRD-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.94
Rot. Bonds6

About N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine

N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine (PubChem CID 54073821) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
PubChem CID54073821
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC NameN-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
SMILESCNCCC(Oc1cccc2ccccc12)c1sccc1C
InChIInChI=1S/C19H21NOS/c1-14-11-13-22-19(14)18(10-12-20-2)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,11,13,18,20H,10,12H2,1-2H3
InChIKeyMIHXMFBSHSEQRD-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(3-methylthiophen-2-yl)-3-[3-(trifluoromethyl)naphthalen-1-yl]oxypropan-1-amine;oxalic acid
CID 18926329
(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
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
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
3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
CID 69262576
(3R)-3-isoquinolin-5-yloxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 135145347
N-methyl-3-(2-oxidoisoquinolin-2-ium-5-yl)oxy-3-thiophen-2-ylpropan-1-amine
CID 135145361
3-naphthalen-1-yloxy-N-(1-phenylethyl)-3-thiophen-2-ylpropan-1-amine
CID 151174384
N-methyl-1-(2-methylnaphthalen-1-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 81431713

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine?
The IUPAC name of N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine (CID 54073821) is N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine is CNCCC(Oc1cccc2ccccc12)c1sccc1C.
What is the InChIKey of N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine?
The InChIKey is MIHXMFBSHSEQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-14-11-13-22-19(14)18(10-12-20-2)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,11,13,18,20H,10,12H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine?
N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine is sourced from PubChem (CID 54073821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).