7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H27NO — CID 107417550

IUPAC7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCC1CCCC1C)CC2
InChIInChI=1S/C18H27NO/c1-13-4-3-5-15(13)12-19-17-8-6-14-7-9-18(20-2)11-16(14)10-17/h7,9,11,13,15,17,19H,3-6,8,10,12H2,1-2H3
InChIKeyIBDRHMALNQZZTF-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.58
Rot. Bonds4

About 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 107417550) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID107417550
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCC1CCCC1C)CC2
InChIInChI=1S/C18H27NO/c1-13-4-3-5-15(13)12-19-17-8-6-14-7-9-18(20-2)11-16(14)10-17/h7,9,11,13,15,17,19H,3-6,8,10,12H2,1-2H3
InChIKeyIBDRHMALNQZZTF-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 107417550) is 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCC1CCCC1C)CC2.
What is the InChIKey of 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IBDRHMALNQZZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-4-3-5-15(13)12-19-17-8-6-14-7-9-18(20-2)11-16(14)10-17/h7,9,11,13,15,17,19H,3-6,8,10,12H2,1-2H3.
What are the key properties of 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(2-methylcyclopentyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 107417550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).