[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol

C13H21NO2 — CID 111467057

IUPAC[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
SMILESCc1ccoc1CNC1CCCCC1CO
InChIInChI=1S/C13H21NO2/c1-10-6-7-16-13(10)8-14-12-5-3-2-4-11(12)9-15/h6-7,11-12,14-15H,2-5,8-9H2,1H3
InChIKeyMZCHSZXNHIHNNQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.23
Rot. Bonds4

About [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol

[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol (PubChem CID 111467057) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
PubChem CID111467057
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
SMILESCc1ccoc1CNC1CCCCC1CO
InChIInChI=1S/C13H21NO2/c1-10-6-7-16-13(10)8-14-12-5-3-2-4-11(12)9-15/h6-7,11-12,14-15H,2-5,8-9H2,1H3
InChIKeyMZCHSZXNHIHNNQ-UHFFFAOYSA-N
XLogP2.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115651167
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115652214
[2-(furan-3-ylmethylamino)cycloheptyl]methanol
CID 115691389
[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methanol
CID 115655051
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol
CID 103699678
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115693333
5-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 114178848
[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]cyclohexyl]methanol
CID 104934477
[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
CID 113243356
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]methanol
CID 115655020
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate
CID 125142043

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol (CID 111467057) is [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol is Cc1ccoc1CNC1CCCCC1CO.
What is the InChIKey of [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol?
The InChIKey is MZCHSZXNHIHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-6-7-16-13(10)8-14-12-5-3-2-4-11(12)9-15/h6-7,11-12,14-15H,2-5,8-9H2,1H3.
What are the key properties of [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol?
[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol has a molecular weight of 223.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 111467057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).