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

C16H23NO2 — CID 81412695

IUPAC[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C16H23NO2/c18-12-16(7-2-1-3-8-16)11-17-14-4-5-15-13(10-14)6-9-19-15/h4-5,10,17-18H,1-3,6-9,11-12H2
InChIKeyKUVBJXBUCUCFTO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.98
Rot. Bonds4

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

[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol (PubChem CID 81412695) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
PubChem CID81412695
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C16H23NO2/c18-12-16(7-2-1-3-8-16)11-17-14-4-5-15-13(10-14)6-9-19-15/h4-5,10,17-18H,1-3,6-9,11-12H2
InChIKeyKUVBJXBUCUCFTO-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115249248
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
CID 115244530
1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclopropane-1-carbonitrile
CID 115242014
2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 104677727
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
CID 116929640
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
CID 115377142
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618884
2-amino-3-(2,3-dihydro-1-benzofuran-5-ylamino)propan-1-ol
CID 115120331
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol (CID 81412695) is [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol is OCC1(CNc2ccc3c(c2)CCO3)CCCCC1.
What is the InChIKey of [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is KUVBJXBUCUCFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-12-16(7-2-1-3-8-16)11-17-14-4-5-15-13(10-14)6-9-19-15/h4-5,10,17-18H,1-3,6-9,11-12H2.
What are the key properties of [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol?
[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 261.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).