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

C18H28N2O — CID 115510686

IUPAC2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(CN)(N(C)C1CCCC1)CC2
InChIInChI=1S/C18H28N2O/c1-20(16-5-3-4-6-16)18(13-19)10-9-14-7-8-17(21-2)11-15(14)12-18/h7-8,11,16H,3-6,9-10,12-13,19H2,1-2H3
InChIKeyDCRQBQFKVQIYIL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.76
Rot. Bonds4

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

2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 115510686) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID115510686
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(CN)(N(C)C1CCCC1)CC2
InChIInChI=1S/C18H28N2O/c1-20(16-5-3-4-6-16)18(13-19)10-9-14-7-8-17(21-2)11-15(14)12-18/h7-8,11,16H,3-6,9-10,12-13,19H2,1-2H3
InChIKeyDCRQBQFKVQIYIL-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 115510716
2-(aminomethyl)-N-cyclopentyl-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 54918181
2-(aminomethyl)-N-cyclohexyl-N-methyl-1,3-dihydroinden-2-amine
CID 43809043
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
1-(aminomethyl)-N-(cyclobutylmethyl)-7-methoxy-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79233197
[2-(3,3-dimethylpyrrolidin-1-yl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 115510740
2-(aminomethyl)-7-methoxy-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 115510736
6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693
N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine
CID 106821681
methyl 2-(cyclopropylmethylamino)-7-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 115510796
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (CID 115510686) is 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is COc1ccc2c(c1)CC(CN)(N(C)C1CCCC1)CC2.
What is the InChIKey of 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is DCRQBQFKVQIYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(16-5-3-4-6-16)18(13-19)10-9-14-7-8-17(21-2)11-15(14)12-18/h7-8,11,16H,3-6,9-10,12-13,19H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopentyl-7-methoxy-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 115510686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).