7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H28N2O — CID 115510447

IUPAC7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC(C)CN1CCCC1)CC2
InChIInChI=1S/C18H28N2O/c1-14(13-20-9-3-4-10-20)19-17-7-5-15-6-8-18(21-2)12-16(15)11-17/h6,8,12,14,17,19H,3-5,7,9-11,13H2,1-2H3
InChIKeyKMRGSULZMMTCDD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.63
Rot. Bonds5

About 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115510447) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115510447
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC(C)CN1CCCC1)CC2
InChIInChI=1S/C18H28N2O/c1-14(13-20-9-3-4-10-20)19-17-7-5-15-6-8-18(21-2)12-16(15)11-17/h6,8,12,14,17,19H,3-5,7,9-11,13H2,1-2H3
InChIKeyKMRGSULZMMTCDD-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510559
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632
N-[1-(furan-2-yl)propan-2-yl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510373
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471742
7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510289
7-methoxy-N-(1-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115901665
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117
N-(2-ethoxypropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115763357
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115510447) is 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NC(C)CN1CCCC1)CC2.
What is the InChIKey of 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KMRGSULZMMTCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(13-20-9-3-4-10-20)19-17-7-5-15-6-8-18(21-2)12-16(15)11-17/h6,8,12,14,17,19H,3-5,7,9-11,13H2,1-2H3.
What are the key properties of 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115510447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).