3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol

C16H25NO2 — CID 103699801

IUPAC3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESCOCc1ccc(CNCC2CCCC(O)C2)cc1
InChIInChI=1S/C16H25NO2/c1-19-12-14-7-5-13(6-8-14)10-17-11-15-3-2-4-16(18)9-15/h5-8,15-18H,2-4,9-12H2,1H3
InChIKeyMWRNUICVLCPPIT-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds6

About 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol

3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699801) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID103699801
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESCOCc1ccc(CNCC2CCCC(O)C2)cc1
InChIInChI=1S/C16H25NO2/c1-19-12-14-7-5-13(6-8-14)10-17-11-15-3-2-4-16(18)9-15/h5-8,15-18H,2-4,9-12H2,1H3
InChIKeyMWRNUICVLCPPIT-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270675
3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699820
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 111467497
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol (CID 103699801) is 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is COCc1ccc(CNCC2CCCC(O)C2)cc1.
What is the InChIKey of 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is MWRNUICVLCPPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-19-12-14-7-5-13(6-8-14)10-17-11-15-3-2-4-16(18)9-15/h5-8,15-18H,2-4,9-12H2,1H3.
What are the key properties of 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol?
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).