5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol

C20H24ClNO3 — CID 119124485

IUPAC5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC2(c3ccccc3Cl)CCOCC2)cc1O
InChIInChI=1S/C20H24ClNO3/c1-24-19-7-6-15(12-18(19)23)13-22-14-20(8-10-25-11-9-20)16-4-2-3-5-17(16)21/h2-7,12,22-23H,8-11,13-14H2,1H3
InChIKeyGMZJEPAOFZNLKI-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.89
Rot. Bonds6

About 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol

5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol (PubChem CID 119124485) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol
PubChem CID119124485
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCC2(c3ccccc3Cl)CCOCC2)cc1O
InChIInChI=1S/C20H24ClNO3/c1-24-19-7-6-15(12-18(19)23)13-22-14-20(8-10-25-11-9-20)16-4-2-3-5-17(16)21/h2-7,12,22-23H,8-11,13-14H2,1H3
InChIKeyGMZJEPAOFZNLKI-UHFFFAOYSA-N
XLogP3.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol
CID 47078025
3-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]benzoic acid
CID 122031056
2-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
CID 119124472
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine
CID 113321768
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532
1-(1,3-benzodioxol-5-yl)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]methanamine;hydrochloride
CID 170458797
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
1-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine
CID 111836335
2-amino-N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 119320209
5-[[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]methyl]-2-methoxyphenol
CID 119123506

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol (CID 119124485) is 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol is COc1ccc(CNCC2(c3ccccc3Cl)CCOCC2)cc1O.
What is the InChIKey of 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol?
The InChIKey is GMZJEPAOFZNLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-24-19-7-6-15(12-18(19)23)13-22-14-20(8-10-25-11-9-20)16-4-2-3-5-17(16)21/h2-7,12,22-23H,8-11,13-14H2,1H3.
What are the key properties of 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol?
5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol has a molecular weight of 361.87 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 119124485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).