1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol

C15H22ClNO3 — CID 65208476

IUPAC1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
SMILESCOc1cc(CN)cc(Cl)c1OCC1(O)CCCCC1
InChIInChI=1S/C15H22ClNO3/c1-19-13-8-11(9-17)7-12(16)14(13)20-10-15(18)5-3-2-4-6-15/h7-8,18H,2-6,9-10,17H2,1H3
InChIKeyOCVVQYPPFLZNEB-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.88
Rot. Bonds5

About 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol

1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208476) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
PubChem CID65208476
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
SMILESCOc1cc(CN)cc(Cl)c1OCC1(O)CCCCC1
InChIInChI=1S/C15H22ClNO3/c1-19-13-8-11(9-17)7-12(16)14(13)20-10-15(18)5-3-2-4-6-15/h7-8,18H,2-6,9-10,17H2,1H3
InChIKeyOCVVQYPPFLZNEB-UHFFFAOYSA-N
XLogP2.88
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(aminomethyl)-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208640
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
(3-chloro-5-methoxy-4-pent-3-ynoxyphenyl)methanamine
CID 104804310
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487525
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491498
3-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900814
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 61486427
[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol (CID 65208476) is 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol is COc1cc(CN)cc(Cl)c1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol?
The InChIKey is OCVVQYPPFLZNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-19-13-8-11(9-17)7-12(16)14(13)20-10-15(18)5-3-2-4-6-15/h7-8,18H,2-6,9-10,17H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol?
1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol has a molecular weight of 299.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).