1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol

C16H24ClNO2 — CID 103156828

IUPAC1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
SMILESCNCc1cccc(Cl)c1OCC(O)CC1CCCC1
InChIInChI=1S/C16H24ClNO2/c1-18-10-13-7-4-8-15(17)16(13)20-11-14(19)9-12-5-2-3-6-12/h4,7-8,12,14,18-19H,2-3,5-6,9-11H2,1H3
InChIKeyTWAHPHABZKXPOC-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.38
Rot. Bonds7

About 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol

1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol (PubChem CID 103156828) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
PubChem CID103156828
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
SMILESCNCc1cccc(Cl)c1OCC(O)CC1CCCC1
InChIInChI=1S/C16H24ClNO2/c1-18-10-13-7-4-8-15(17)16(13)20-11-14(19)9-12-5-2-3-6-12/h4,7-8,12,14,18-19H,2-3,5-6,9-11H2,1H3
InChIKeyTWAHPHABZKXPOC-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
CID 103156822
1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156520
1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988869
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
CID 112608552
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934
2-[2-chloro-6-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 112608605
1-[3-chloro-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 112608537
1-cyclopentyl-3-[2-fluoro-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 107686518
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol (CID 103156828) is 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol is CNCc1cccc(Cl)c1OCC(O)CC1CCCC1.
What is the InChIKey of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol?
The InChIKey is TWAHPHABZKXPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-18-10-13-7-4-8-15(17)16(13)20-11-14(19)9-12-5-2-3-6-12/h4,7-8,12,14,18-19H,2-3,5-6,9-11H2,1H3.
What are the key properties of 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol?
1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103156828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).