N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C17H21NO — CID 115615295

IUPACN-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCc2ccoc2)c2ccccc21
InChIInChI=1S/C17H21NO/c1-17(2)9-7-16(14-5-3-4-6-15(14)17)18-11-13-8-10-19-12-13/h3-6,8,10,12,16,18H,7,9,11H2,1-2H3
InChIKeyXCVNOQXHGJLPOL-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.18
Rot. Bonds3

About N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 115615295) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID115615295
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(NCc2ccoc2)c2ccccc21
InChIInChI=1S/C17H21NO/c1-17(2)9-7-16(14-5-3-4-6-15(14)17)18-11-13-8-10-19-12-13/h3-6,8,10,12,16,18H,7,9,11H2,1-2H3
InChIKeyXCVNOQXHGJLPOL-UHFFFAOYSA-N
XLogP4.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 115615295) is N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(NCc2ccoc2)c2ccccc21.
What is the InChIKey of N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is XCVNOQXHGJLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2)9-7-16(14-5-3-4-6-15(14)17)18-11-13-8-10-19-12-13/h3-6,8,10,12,16,18H,7,9,11H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115615295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).