1-(2-chlorophenoxy)-4-methoxybutan-2-amine

C11H16ClNO2 — CID 117236727

IUPAC1-(2-chlorophenoxy)-4-methoxybutan-2-amine
SMILESCOCCC(N)COc1ccccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-14-7-6-9(13)8-15-11-5-3-2-4-10(11)12/h2-5,9H,6-8,13H2,1H3
InChIKeyHJQITWINFSMSER-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.08
Rot. Bonds6

About 1-(2-chlorophenoxy)-4-methoxybutan-2-amine

1-(2-chlorophenoxy)-4-methoxybutan-2-amine (PubChem CID 117236727) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-4-methoxybutan-2-amine
PubChem CID117236727
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-(2-chlorophenoxy)-4-methoxybutan-2-amine
SMILESCOCCC(N)COc1ccccc1Cl
InChIInChI=1S/C11H16ClNO2/c1-14-7-6-9(13)8-15-11-5-3-2-4-10(11)12/h2-5,9H,6-8,13H2,1H3
InChIKeyHJQITWINFSMSER-UHFFFAOYSA-N
XLogP2.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612
1-(3-bromophenoxy)-4-methoxybutan-2-amine
CID 117236752
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
CID 58044467

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-4-methoxybutan-2-amine?
The IUPAC name of 1-(2-chlorophenoxy)-4-methoxybutan-2-amine (CID 117236727) is 1-(2-chlorophenoxy)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(2-chlorophenoxy)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(2-chlorophenoxy)-4-methoxybutan-2-amine is COCCC(N)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-4-methoxybutan-2-amine?
The InChIKey is HJQITWINFSMSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-7-6-9(13)8-15-11-5-3-2-4-10(11)12/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 1-(2-chlorophenoxy)-4-methoxybutan-2-amine?
1-(2-chlorophenoxy)-4-methoxybutan-2-amine has a molecular weight of 229.71 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-4-methoxybutan-2-amine is sourced from PubChem (CID 117236727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).