(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H21NO — CID 125486652

IUPAC(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC#CCN(CC)[C@H]1CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H21NO/c1-4-10-17(5-2)15-8-6-13-7-9-16(18-3)12-14(13)11-15/h1,7,9,12,15H,5-6,8,10-11H2,2-3H3/t15-/m0/s1
InChIKeyWWRIXUKDGWLTAT-HNNXBMFYSA-N
MW243.35 g/mol
LogP2.51
Rot. Bonds4

About (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 125486652) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID125486652
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC#CCN(CC)[C@H]1CCc2ccc(OC)cc2C1
InChIInChI=1S/C16H21NO/c1-4-10-17(5-2)15-8-6-13-7-9-16(18-3)12-14(13)11-15/h1,7,9,12,15H,5-6,8,10-11H2,2-3H3/t15-/m0/s1
InChIKeyWWRIXUKDGWLTAT-HNNXBMFYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpropanoic acid
CID 115511164
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
CID 115510861
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11675797
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-ynylamino]acetic acid
CID 79287526
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 19872438
4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butyl 2,6-dimethoxybenzoate
CID 12843156

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 125486652) is (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine is C#CCN(CC)[C@H]1CCc2ccc(OC)cc2C1.
What is the InChIKey of (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WWRIXUKDGWLTAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-10-17(5-2)15-8-6-13-7-9-16(18-3)12-14(13)11-15/h1,7,9,12,15H,5-6,8,10-11H2,2-3H3/t15-/m0/s1.
What are the key properties of (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 125486652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).