1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol

C14H22ClNO3 — CID 114491498

IUPAC1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
SMILESCOc1cc(CN)cc(Cl)c1OCC(C)(O)C(C)C
InChIInChI=1S/C14H22ClNO3/c1-9(2)14(3,17)8-19-13-11(15)5-10(7-16)6-12(13)18-4/h5-6,9,17H,7-8,16H2,1-4H3
InChIKeyXUUSNMWZKUOKTJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.59
Rot. Bonds6

About 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol

1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114491498) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114491498
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
SMILESCOc1cc(CN)cc(Cl)c1OCC(C)(O)C(C)C
InChIInChI=1S/C14H22ClNO3/c1-9(2)14(3,17)8-19-13-11(15)5-10(7-16)6-12(13)18-4/h5-6,9,17H,7-8,16H2,1-4H3
InChIKeyXUUSNMWZKUOKTJ-UHFFFAOYSA-N
XLogP2.59
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
3-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900814
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
[3-chloro-5-methoxy-4-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191093
1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208476
[4-[2-(2-tert-butylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]methanamine
CID 22687256
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988428
[3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20991995
N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63061644
(3-chloro-5-methoxy-4-pent-3-ynoxyphenyl)methanamine
CID 104804310
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol (CID 114491498) is 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol is COc1cc(CN)cc(Cl)c1OCC(C)(O)C(C)C.
What is the InChIKey of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is XUUSNMWZKUOKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-9(2)14(3,17)8-19-13-11(15)5-10(7-16)6-12(13)18-4/h5-6,9,17H,7-8,16H2,1-4H3.
What are the key properties of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol?
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 287.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114491498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).