4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C16H25NO3 — CID 106125148

IUPAC4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(OC)c(CNCC2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO3/c1-19-15-7-8-16(20-2)13(9-15)11-17-10-12-3-5-14(18)6-4-12/h7-9,12,14,17-18H,3-6,10-11H2,1-2H3
InChIKeyLKZNUPOGFCFXTA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.34
Rot. Bonds6

About 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol

4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106125148) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106125148
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(OC)c(CNCC2CCC(O)CC2)c1
InChIInChI=1S/C16H25NO3/c1-19-15-7-8-16(20-2)13(9-15)11-17-10-12-3-5-14(18)6-4-12/h7-9,12,14,17-18H,3-6,10-11H2,1-2H3
InChIKeyLKZNUPOGFCFXTA-UHFFFAOYSA-N
XLogP2.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796
3-[[(4-hydroxycyclohexyl)methylamino]methyl]-4-methoxybenzonitrile
CID 106133266
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(cyclopropylmethylamino)methyl]-5-methoxyaniline
CID 115413842
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 115614887
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004445
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 106125148) is 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol is COc1ccc(OC)c(CNCC2CCC(O)CC2)c1.
What is the InChIKey of 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is LKZNUPOGFCFXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-19-15-7-8-16(20-2)13(9-15)11-17-10-12-3-5-14(18)6-4-12/h7-9,12,14,17-18H,3-6,10-11H2,1-2H3.
What are the key properties of 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).