7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H28N2O — CID 79234946

IUPAC7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(N1CCCC(C)CC1)CC2
InChIInChI=1S/C18H28N2O/c1-13-4-3-10-20(11-9-13)17-8-6-14-5-7-15(21-2)12-16(14)18(17)19/h5,7,12-13,17-18H,3-4,6,8-11,19H2,1-2H3
InChIKeyZJOLZFIKMOPNLS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds2

About 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79234946) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79234946
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(N1CCCC(C)CC1)CC2
InChIInChI=1S/C18H28N2O/c1-13-4-3-10-20(11-9-13)17-8-6-14-5-7-15(21-2)12-16(14)18(17)19/h5,7,12-13,17-18H,3-4,6,8-11,19H2,1-2H3
InChIKeyZJOLZFIKMOPNLS-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230789
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247673
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115559637
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
2-(2,2-dimethylpyrrolidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247674
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234962
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248788
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
1-[1-[(3-chlorophenyl)methyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]azetidine
CID 59547808

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79234946) is 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(N1CCCC(C)CC1)CC2.
What is the InChIKey of 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZJOLZFIKMOPNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-4-3-10-20(11-9-13)17-8-6-14-5-7-15(21-2)12-16(14)18(17)19/h5,7,12-13,17-18H,3-4,6,8-11,19H2,1-2H3.
What are the key properties of 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79234946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).