N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C18H27NO2 — CID 115510529

IUPACN-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCCOC1CCCC1)CC2
InChIInChI=1S/C18H27NO2/c1-20-18-9-7-14-6-8-16(12-15(14)13-18)19-10-11-21-17-4-2-3-5-17/h7,9,13,16-17,19H,2-6,8,10-12H2,1H3
InChIKeyUWIOCHLTWGHFMT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.10
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115510529) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115510529
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NCCOC1CCCC1)CC2
InChIInChI=1S/C18H27NO2/c1-20-18-9-7-14-6-8-16(12-15(14)13-18)19-10-11-21-17-4-2-3-5-17/h7,9,13,16-17,19H,2-6,8,10-12H2,1H3
InChIKeyUWIOCHLTWGHFMT-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845697
7-methoxy-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510465
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
(2S)-6-methoxy-N-[3-(1-methylpiperidin-4-yl)oxypropyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125444658
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97326400
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
7-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75431760
6-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 23634994

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115510529) is N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NCCOC1CCCC1)CC2.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UWIOCHLTWGHFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-20-18-9-7-14-6-8-16(12-15(14)13-18)19-10-11-21-17-4-2-3-5-17/h7,9,13,16-17,19H,2-6,8,10-12H2,1H3.
What are the key properties of N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115510529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).