1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol

C20H29NO — CID 70303827

IUPAC1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(C3=CCCCC3)cc2)CCCCC1
InChIInChI=1S/C20H29NO/c22-20(13-5-2-6-14-20)16-21-15-17-9-11-19(12-10-17)18-7-3-1-4-8-18/h7,9-12,21-22H,1-6,8,13-16H2
InChIKeyMGLWFVGOJFMCJE-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.43
Rot. Bonds5

About 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol

1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 70303827) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol
PubChem CID70303827
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(C3=CCCCC3)cc2)CCCCC1
InChIInChI=1S/C20H29NO/c22-20(13-5-2-6-14-20)16-21-15-17-9-11-19(12-10-17)18-7-3-1-4-8-18/h7,9-12,21-22H,1-6,8,13-16H2
InChIKeyMGLWFVGOJFMCJE-UHFFFAOYSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(cyclohexen-1-yl)phenyl]methyl]cyclohexan-1-ol
CID 101241900
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 77056304
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol (CID 70303827) is 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2ccc(C3=CCCCC3)cc2)CCCCC1.
What is the InChIKey of 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is MGLWFVGOJFMCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c22-20(13-5-2-6-14-20)16-21-15-17-9-11-19(12-10-17)18-7-3-1-4-8-18/h7,9-12,21-22H,1-6,8,13-16H2.
What are the key properties of 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol?
1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(cyclohexen-1-yl)phenyl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 70303827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).