N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine

C17H21NO — CID 62351212

IUPACN-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
SMILESc1ccc2cc(CNCC3CCOCC3)ccc2c1
InChIInChI=1S/C17H21NO/c1-2-4-17-11-15(5-6-16(17)3-1)13-18-12-14-7-9-19-10-8-14/h1-6,11,14,18H,7-10,12-13H2
InChIKeyZEIOCDMETVUZQC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.36
Rot. Bonds4

About N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine

N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine (PubChem CID 62351212) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
PubChem CID62351212
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine
SMILESc1ccc2cc(CNCC3CCOCC3)ccc2c1
InChIInChI=1S/C17H21NO/c1-2-4-17-11-15(5-6-16(17)3-1)13-18-12-14-7-9-19-10-8-14/h1-6,11,14,18H,7-10,12-13H2
InChIKeyZEIOCDMETVUZQC-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 62351928
N-(naphthalen-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 115208869
1-(naphthalen-2-ylmethyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95762758
2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63725761
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
N-methyl-1-naphthalen-2-yl-3-(oxan-4-yl)propan-2-amine
CID 105138718
N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 141304489
N-(naphthalen-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351410
N-[(4-bromo-3-nitrophenyl)methyl]-1-(oxan-4-yl)methanamine
CID 55210343
2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119245416
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
N-(isoquinolin-4-ylmethyl)-1-(oxan-4-yl)methanamine
CID 112702944

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine?
The IUPAC name of N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine (CID 62351212) is N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine is c1ccc2cc(CNCC3CCOCC3)ccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine?
The InChIKey is ZEIOCDMETVUZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-4-17-11-15(5-6-16(17)3-1)13-18-12-14-7-9-19-10-8-14/h1-6,11,14,18H,7-10,12-13H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine?
N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62351212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).