6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21NO — CID 113262380

IUPAC6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCC(C)NC1CCCc2cc(OC)ccc21
InChIInChI=1S/C16H21NO/c1-4-6-12(2)17-16-8-5-7-13-11-14(18-3)9-10-15(13)16/h1,9-12,16-17H,5-8H2,2-3H3
InChIKeyOLZIOCRVRCINDR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.07
Rot. Bonds4

About 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113262380) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113262380
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCC(C)NC1CCCc2cc(OC)ccc21
InChIInChI=1S/C16H21NO/c1-4-6-12(2)17-16-8-5-7-13-11-14(18-3)9-10-15(13)16/h1,9-12,16-17H,5-8H2,2-3H3
InChIKeyOLZIOCRVRCINDR-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
N-(1-ethylsulfanylpropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725728
N-(dicyclopropylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096402
(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol
CID 79253979
5-chloro-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115725341
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212
5-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 130014165
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113262380) is 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine is C#CCC(C)NC1CCCc2cc(OC)ccc21.
What is the InChIKey of 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OLZIOCRVRCINDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-6-12(2)17-16-8-5-7-13-11-14(18-3)9-10-15(13)16/h1,9-12,16-17H,5-8H2,2-3H3.
What are the key properties of 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113262380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).