[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol

C17H25NO — CID 81411087

IUPAC[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccc3c(c2)CCC3)CCCCC1
InChIInChI=1S/C17H25NO/c19-13-17(9-2-1-3-10-17)12-18-16-8-7-14-5-4-6-15(14)11-16/h7-8,11,18-19H,1-6,9-10,12-13H2
InChIKeyCZNFIUPOUKXIRV-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.53
Rot. Bonds4

About [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol

[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol (PubChem CID 81411087) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
PubChem CID81411087
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccc3c(c2)CCC3)CCCCC1
InChIInChI=1S/C17H25NO/c19-13-17(9-2-1-3-10-17)12-18-16-8-7-14-5-4-6-15(14)11-16/h7-8,11,18-19H,1-6,9-10,12-13H2
InChIKeyCZNFIUPOUKXIRV-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
CID 81412695
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
CID 115377142
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 80716453
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol
CID 107620978
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 103965395
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234
N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
CID 81400351
3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]oxetane-3-carboxylic acid
CID 115248273
[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol
CID 81419673

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol (CID 81411087) is [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol is OCC1(CNc2ccc3c(c2)CCC3)CCCCC1.
What is the InChIKey of [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is CZNFIUPOUKXIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-13-17(9-2-1-3-10-17)12-18-16-8-7-14-5-4-6-15(14)11-16/h7-8,11,18-19H,1-6,9-10,12-13H2.
What are the key properties of [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol?
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81411087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).