4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol

C17H25NO — CID 106127210

IUPAC4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNC2CCc3ccccc3C2)CC1
InChIInChI=1S/C17H25NO/c19-17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-4,13,16-19H,5-12H2
InChIKeyPEEXAQBORZUXPL-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.68
Rot. Bonds3

About 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol

4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 106127210) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID106127210
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNC2CCc3ccccc3C2)CC1
InChIInChI=1S/C17H25NO/c19-17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-4,13,16-19H,5-12H2
InChIKeyPEEXAQBORZUXPL-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
4-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]cyclohexan-1-ol
CID 26458443
4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]cyclohexan-1-ol
CID 26458441
3-[[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]cyclopentan-1-ol
CID 103271395
N-(cyclopropylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-amine
CID 115306943
3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
CID 93026634
N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849959
(3aS,4R)-N-(cyclopropylmethyl)-1,2,3,3a,4,5-hexahydroacenaphthylen-4-amine
CID 97356467
N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 107126609
N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 80600159
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63682089
2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine
CID 43434687

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol (CID 106127210) is 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol is OC1CCC(CNC2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is PEEXAQBORZUXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-17-9-5-13(6-10-17)12-18-16-8-7-14-3-1-2-4-15(14)11-16/h1-4,13,16-19H,5-12H2.
What are the key properties of 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol?
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106127210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).