2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol

C14H20BrNO3 — CID 60887933

IUPAC2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol
SMILESCCOc1cc(CN)cc(Br)c1OC1CCCC1O
InChIInChI=1S/C14H20BrNO3/c1-2-18-13-7-9(8-16)6-10(15)14(13)19-12-5-3-4-11(12)17/h6-7,11-12,17H,2-5,8,16H2,1H3
InChIKeyKLUMTROILLYGOA-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol

2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol (PubChem CID 60887933) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol
PubChem CID60887933
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol
SMILESCCOc1cc(CN)cc(Br)c1OC1CCCC1O
InChIInChI=1S/C14H20BrNO3/c1-2-18-13-7-9(8-16)6-10(15)14(13)19-12-5-3-4-11(12)17/h6-7,11-12,17H,2-5,8,16H2,1H3
InChIKeyKLUMTROILLYGOA-UHFFFAOYSA-N
XLogP2.60
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-5-ethoxy-4-(oxan-3-yloxy)phenyl]methanamine
CID 107134317
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
1-bromo-5-(chloromethyl)-3-ethoxy-2-(2-ethylcyclohexyl)oxybenzene
CID 63862164
2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60877757
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61488931
[3-bromo-5-ethoxy-4-(2-methylidenebutoxy)phenyl]methanamine
CID 66045664
[3-bromo-5-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60888518
1-(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)-N-methylmethanamine
CID 43626927
[3-bromo-5-ethoxy-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 61312054
[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]methanol
CID 65459217
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60883957
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methanamine
CID 60888713

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol (CID 60887933) is 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol is CCOc1cc(CN)cc(Br)c1OC1CCCC1O.
What is the InChIKey of 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol?
The InChIKey is KLUMTROILLYGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-2-18-13-7-9(8-16)6-10(15)14(13)19-12-5-3-4-11(12)17/h6-7,11-12,17H,2-5,8,16H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol?
2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol has a molecular weight of 330.22 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]cyclopentan-1-ol is sourced from PubChem (CID 60887933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).