1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine

C17H22N2S — CID 43527448

IUPAC1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCN(Cc1cccs1)C1(CN)CCCc2ccccc21
InChIInChI=1S/C17H22N2S/c1-19(12-15-8-5-11-20-15)17(13-18)10-4-7-14-6-2-3-9-16(14)17/h2-3,5-6,8-9,11H,4,7,10,12-13,18H2,1H3
InChIKeyFAIWAPGKSRPNLV-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.37
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine

1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 43527448) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID43527448
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCN(Cc1cccs1)C1(CN)CCCc2ccccc21
InChIInChI=1S/C17H22N2S/c1-19(12-15-8-5-11-20-15)17(13-18)10-4-7-14-6-2-3-9-16(14)17/h2-3,5-6,8-9,11H,4,7,10,12-13,18H2,1H3
InChIKeyFAIWAPGKSRPNLV-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 43527448) is 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine is CN(Cc1cccs1)C1(CN)CCCc2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is FAIWAPGKSRPNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-19(12-15-8-5-11-20-15)17(13-18)10-4-7-14-6-2-3-9-16(14)17/h2-3,5-6,8-9,11H,4,7,10,12-13,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 286.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 43527448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).