1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol

C14H21NO2 — CID 64814404

IUPAC1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
SMILESNCC(O)CCOC1CCCc2ccccc21
InChIInChI=1S/C14H21NO2/c15-10-12(16)8-9-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14,16H,3,5,7-10,15H2
InChIKeyUPMLZXMMRRDIKV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.79
Rot. Bonds5

About 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol

1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol (PubChem CID 64814404) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
PubChem CID64814404
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
SMILESNCC(O)CCOC1CCCc2ccccc21
InChIInChI=1S/C14H21NO2/c15-10-12(16)8-9-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14,16H,3,5,7-10,15H2
InChIKeyUPMLZXMMRRDIKV-UHFFFAOYSA-N
XLogP1.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 62497436
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile
CID 63027618
4-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 43519719
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
[5-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)thiophen-2-yl]methanamine
CID 107558127
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
1-(aminomethyl)-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]cyclopentan-1-ol
CID 79587666
4-amino-3-methoxy-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]butanamide
CID 120592406

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol?
The IUPAC name of 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol (CID 64814404) is 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol.
What is the SMILES notation for 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol?
The canonical SMILES for 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol is NCC(O)CCOC1CCCc2ccccc21.
What is the InChIKey of 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol?
The InChIKey is UPMLZXMMRRDIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-10-12(16)8-9-17-14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14,16H,3,5,7-10,15H2.
What are the key properties of 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol?
1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol is sourced from PubChem (CID 64814404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).