2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol

C13H18ClNO2 — CID 112608552

IUPAC2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
SMILESCNCc1cccc(Cl)c1OC1CCCC1O
InChIInChI=1S/C13H18ClNO2/c1-15-8-9-4-2-5-10(14)13(9)17-12-7-3-6-11(12)16/h2,4-5,11-12,15-16H,3,6-8H2,1H3
InChIKeyZODLCNHRKYVEBA-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.35
Rot. Bonds4

About 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol

2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol (PubChem CID 112608552) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
PubChem CID112608552
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
SMILESCNCc1cccc(Cl)c1OC1CCCC1O
InChIInChI=1S/C13H18ClNO2/c1-15-8-9-4-2-5-10(14)13(9)17-12-7-3-6-11(12)16/h2,4-5,11-12,15-16H,3,6-8H2,1H3
InChIKeyZODLCNHRKYVEBA-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
CID 102735470
3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one
CID 112608577
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 112620098
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156828
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]cyclopentan-1-ol
CID 63056436
1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol
CID 60889614
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol (CID 112608552) is 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol is CNCc1cccc(Cl)c1OC1CCCC1O.
What is the InChIKey of 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol?
The InChIKey is ZODLCNHRKYVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15-8-9-4-2-5-10(14)13(9)17-12-7-3-6-11(12)16/h2,4-5,11-12,15-16H,3,6-8H2,1H3.
What are the key properties of 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol?
2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol has a molecular weight of 255.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 112608552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).