(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H27NO3 — CID 97326400

IUPAC(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)C[C@H](NCCOC[C@H]1CCCO1)CC2
InChIInChI=1S/C18H27NO3/c1-20-17-7-5-14-4-6-16(11-15(14)12-17)19-8-10-21-13-18-3-2-9-22-18/h5,7,12,16,18-19H,2-4,6,8-11,13H2,1H3/t16-,18-/m1/s1
InChIKeyZIODFZMKTBWMGZ-SJLPKXTDSA-N
MW305.42 g/mol
LogP2.34
Rot. Bonds7

About (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 97326400) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID97326400
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)C[C@H](NCCOC[C@H]1CCCO1)CC2
InChIInChI=1S/C18H27NO3/c1-20-17-7-5-14-4-6-16(11-15(14)12-17)19-8-10-21-13-18-3-2-9-22-18/h5,7,12,16,18-19H,2-4,6,8-11,13H2,1H3/t16-,18-/m1/s1
InChIKeyZIODFZMKTBWMGZ-SJLPKXTDSA-N
XLogP2.34
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

7-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75431760
N-[2-(cyclopropylmethoxy)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845697
N-(2-cyclopentyloxyethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510529
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
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
7-methoxy-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510457
(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
N-[2-(5-chlorothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103845688
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
CID 115510410

Frequently Asked Questions

What is the IUPAC name of (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 97326400) is (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)C[C@H](NCCOC[C@H]1CCCO1)CC2.
What is the InChIKey of (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZIODFZMKTBWMGZ-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H27NO3/c1-20-17-7-5-14-4-6-16(11-15(14)12-17)19-8-10-21-13-18-3-2-9-22-18/h5,7,12,16,18-19H,2-4,6,8-11,13H2,1H3/t16-,18-/m1/s1.
What are the key properties of (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 305.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 97326400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).