N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine

C17H27NO — CID 103984620

IUPACN-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine
SMILESCOCC1(CNCC(C)C)CCCc2ccccc21
InChIInChI=1S/C17H27NO/c1-14(2)11-18-12-17(13-19-3)10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,14,18H,6,8,10-13H2,1-3H3
InChIKeyNTSVRAAMUGYCJD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.15
Rot. Bonds6

About N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine

N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103984620) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine
PubChem CID103984620
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine
SMILESCOCC1(CNCC(C)C)CCCc2ccccc21
InChIInChI=1S/C17H27NO/c1-14(2)11-18-12-17(13-19-3)10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,14,18H,6,8,10-13H2,1-3H3
InChIKeyNTSVRAAMUGYCJD-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine (CID 103984620) is N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine is COCC1(CNCC(C)C)CCCc2ccccc21.
What is the InChIKey of N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NTSVRAAMUGYCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)11-18-12-17(13-19-3)10-6-8-15-7-4-5-9-16(15)17/h4-5,7,9,14,18H,6,8,10-13H2,1-3H3.
What are the key properties of N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103984620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).