1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol

C11H16ClNO3 — CID 60879592

IUPAC1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CN)cc(Cl)c1OCC(C)O
InChIInChI=1S/C11H16ClNO3/c1-7(14)6-16-11-9(12)3-8(5-13)4-10(11)15-2/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyXHVKKIVQOFKNGB-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.57
Rot. Bonds5

About 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol

1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol (PubChem CID 60879592) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
PubChem CID60879592
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
SMILESCOc1cc(CN)cc(Cl)c1OCC(C)O
InChIInChI=1S/C11H16ClNO3/c1-7(14)6-16-11-9(12)3-8(5-13)4-10(11)15-2/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyXHVKKIVQOFKNGB-UHFFFAOYSA-N
XLogP1.57
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
3-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900814
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988428
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114491498
[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-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
1-[[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 65208476
[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-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
(3-chloro-5-methoxy-4-pent-3-ynoxyphenyl)methanamine
CID 104804310

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol?
The IUPAC name of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol (CID 60879592) is 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol is COc1cc(CN)cc(Cl)c1OCC(C)O.
What is the InChIKey of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol?
The InChIKey is XHVKKIVQOFKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-7(14)6-16-11-9(12)3-8(5-13)4-10(11)15-2/h3-4,7,14H,5-6,13H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol?
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol has a molecular weight of 245.71 g/mol, XLogP of 1.57, 5 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]propan-2-ol is sourced from PubChem (CID 60879592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).