1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol

C15H22ClNO2 — CID 103156822

IUPAC1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
SMILESNCc1cccc(Cl)c1OCC(O)CC1CCCC1
InChIInChI=1S/C15H22ClNO2/c16-14-7-3-6-12(9-17)15(14)19-10-13(18)8-11-4-1-2-5-11/h3,6-7,11,13,18H,1-2,4-5,8-10,17H2
InChIKeyLQMCKYCDETTZGT-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.12
Rot. Bonds6

About 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol

1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol (PubChem CID 103156822) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
PubChem CID103156822
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol
SMILESNCc1cccc(Cl)c1OCC(O)CC1CCCC1
InChIInChI=1S/C15H22ClNO2/c16-14-7-3-6-12(9-17)15(14)19-10-13(18)8-11-4-1-2-5-11/h3,6-7,11,13,18H,1-2,4-5,8-10,17H2
InChIKeyLQMCKYCDETTZGT-UHFFFAOYSA-N
XLogP3.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(methylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156828
1-[2-(aminomethyl)-6-chlorophenoxy]-3-propan-2-yloxypropan-2-ol
CID 112607686
1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872
1-[2-(aminomethyl)-6-chlorophenoxy]-3-ethoxypropan-2-ol
CID 112607693
1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol
CID 107741315
[3-chloro-2-(2-ethylbutoxy)phenyl]methanamine
CID 112607589
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
3-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]propane-1,2-diol
CID 112609889
1-[2-bromo-6-(ethylaminomethyl)phenoxy]-3-cyclopentylpropan-2-ol
CID 103156520
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-[[2-(aminomethyl)-6-chlorophenoxy]methyl]cyclopentan-1-ol
CID 112607841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol (CID 103156822) is 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol is NCc1cccc(Cl)c1OCC(O)CC1CCCC1.
What is the InChIKey of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol?
The InChIKey is LQMCKYCDETTZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-14-7-3-6-12(9-17)15(14)19-10-13(18)8-11-4-1-2-5-11/h3,6-7,11,13,18H,1-2,4-5,8-10,17H2.
What are the key properties of 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol?
1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-6-chlorophenoxy]-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 103156822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).