3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol

C18H21NO — CID 43192226

IUPAC3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
SMILESCC(Nc1cccc2c1CCCC2)c1cccc(O)c1
InChIInChI=1S/C18H21NO/c1-13(15-8-4-9-16(20)12-15)19-18-11-5-7-14-6-2-3-10-17(14)18/h4-5,7-9,11-13,19-20H,2-3,6,10H2,1H3
InChIKeyIDVATEPIGUEEGO-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.44
Rot. Bonds3

About 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol

3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol (PubChem CID 43192226) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
PubChem CID43192226
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
SMILESCC(Nc1cccc2c1CCCC2)c1cccc(O)c1
InChIInChI=1S/C18H21NO/c1-13(15-8-4-9-16(20)12-15)19-18-11-5-7-14-6-2-3-10-17(14)18/h4-5,7-9,11-13,19-20H,2-3,6,10H2,1H3
InChIKeyIDVATEPIGUEEGO-UHFFFAOYSA-N
XLogP4.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
CID 43684258
N-[1-(2,4-dichlorophenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43096568
3-[(1S)-1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)ethyl]phenol
CID 136581264
N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43102799
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 103232448
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol
CID 43676485
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]ethyl]phenol
CID 43681827
2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide
CID 43738358

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol?
The IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol (CID 43192226) is 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol is CC(Nc1cccc2c1CCCC2)c1cccc(O)c1.
What is the InChIKey of 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol?
The InChIKey is IDVATEPIGUEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(15-8-4-9-16(20)12-15)19-18-11-5-7-14-6-2-3-10-17(14)18/h4-5,7-9,11-13,19-20H,2-3,6,10H2,1H3.
What are the key properties of 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol?
3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol is sourced from PubChem (CID 43192226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).