2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine

C18H28N2O — CID 115510716

IUPAC2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(CN)(N(C)CC1CCC1)CC2
InChIInChI=1S/C18H28N2O/c1-20(12-14-4-3-5-14)18(13-19)9-8-15-6-7-17(21-2)10-16(15)11-18/h6-7,10,14H,3-5,8-9,11-13,19H2,1-2H3
InChIKeyKFOHCJPOGVAROG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.61
Rot. Bonds5

About 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 115510716) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID115510716
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(CN)(N(C)CC1CCC1)CC2
InChIInChI=1S/C18H28N2O/c1-20(12-14-4-3-5-14)18(13-19)9-8-15-6-7-17(21-2)10-16(15)11-18/h6-7,10,14H,3-5,8-9,11-13,19H2,1-2H3
InChIKeyKFOHCJPOGVAROG-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (CID 115510716) is 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is COc1ccc2c(c1)CC(CN)(N(C)CC1CCC1)CC2.
What is the InChIKey of 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is KFOHCJPOGVAROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(12-14-4-3-5-14)18(13-19)9-8-15-6-7-17(21-2)10-16(15)11-18/h6-7,10,14H,3-5,8-9,11-13,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 115510716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).