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

C18H24N2O — CID 61426621

IUPAC1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCc1occc1CN(C)C1(CN)CCCc2ccccc21
InChIInChI=1S/C18H24N2O/c1-14-16(9-11-21-14)12-20(2)18(13-19)10-5-7-15-6-3-4-8-17(15)18/h3-4,6,8-9,11H,5,7,10,12-13,19H2,1-2H3
InChIKeySVOJNIFGLDLWSX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.21
Rot. Bonds4

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

1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 61426621) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID61426621
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCc1occc1CN(C)C1(CN)CCCc2ccccc21
InChIInChI=1S/C18H24N2O/c1-14-16(9-11-21-14)12-20(2)18(13-19)10-5-7-15-6-3-4-8-17(15)18/h3-4,6,8-9,11H,5,7,10,12-13,19H2,1-2H3
InChIKeySVOJNIFGLDLWSX-UHFFFAOYSA-N
XLogP3.21
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.21
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-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine (CID 61426621) is 1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine is Cc1occc1CN(C)C1(CN)CCCc2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is SVOJNIFGLDLWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-16(9-11-21-14)12-20(2)18(13-19)10-5-7-15-6-3-4-8-17(15)18/h3-4,6,8-9,11H,5,7,10,12-13,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.21, 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-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 61426621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).