2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C15H23NO2 — CID 64927668

IUPAC2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CNCC2CCCCC2O)cc1
InChIInChI=1S/C15H23NO2/c1-18-14-8-6-12(7-9-14)10-16-11-13-4-2-3-5-15(13)17/h6-9,13,15-17H,2-5,10-11H2,1H3
InChIKeyMGCFILAQNIVFJJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds5

About 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64927668) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64927668
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(CNCC2CCCCC2O)cc1
InChIInChI=1S/C15H23NO2/c1-18-14-8-6-12(7-9-14)10-16-11-13-4-2-3-5-15(13)17/h6-9,13,15-17H,2-5,10-11H2,1H3
InChIKeyMGCFILAQNIVFJJ-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64929394
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 64928817
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 64912854
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 64927668) is 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is COc1ccc(CNCC2CCCCC2O)cc1.
What is the InChIKey of 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is MGCFILAQNIVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-14-8-6-12(7-9-14)10-16-11-13-4-2-3-5-15(13)17/h6-9,13,15-17H,2-5,10-11H2,1H3.
What are the key properties of 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).