1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol

C14H20ClNO2 — CID 65208696

IUPAC1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol
SMILESNCc1cc(Cl)ccc1OCC1(O)CCCCC1
InChIInChI=1S/C14H20ClNO2/c15-12-4-5-13(11(8-12)9-16)18-10-14(17)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7,9-10,16H2
InChIKeyLZJFFBDPSXWYQY-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.87
Rot. Bonds4

About 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol

1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208696) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol
PubChem CID65208696
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol
SMILESNCc1cc(Cl)ccc1OCC1(O)CCCCC1
InChIInChI=1S/C14H20ClNO2/c15-12-4-5-13(11(8-12)9-16)18-10-14(17)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7,9-10,16H2
InChIKeyLZJFFBDPSXWYQY-UHFFFAOYSA-N
XLogP2.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
1-[[2-(aminomethyl)-5-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208427
1-[(5-chloro-2-methylphenoxy)methyl]cyclobutan-1-ol
CID 167839312
1-[[5-(aminomethyl)-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208640
1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol
CID 112607841
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
[5-chloro-2-(2-methylidenebutoxy)phenyl]methanamine
CID 66046375
3-chloro-4-[(1-hydroxycyclohexyl)methoxy]benzoic acid
CID 65208131
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60879262
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-ynylacetamide
CID 60879263
1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol
CID 65213548

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol (CID 65208696) is 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol is NCc1cc(Cl)ccc1OCC1(O)CCCCC1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol?
The InChIKey is LZJFFBDPSXWYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-12-4-5-13(11(8-12)9-16)18-10-14(17)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7,9-10,16H2.
What are the key properties of 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol?
1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol has a molecular weight of 269.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-chlorophenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).