1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine

C14H21ClN2O — CID 55234857

IUPAC1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C14H21ClN2O/c1-2-11(16)10-12-13(15)4-3-5-14(12)17-6-8-18-9-7-17/h3-5,11H,2,6-10,16H2,1H3
InChIKeyWKPRMFMOPAAZDY-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.46
Rot. Bonds4

About 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine

1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine (PubChem CID 55234857) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
PubChem CID55234857
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C14H21ClN2O/c1-2-11(16)10-12-13(15)4-3-5-14(12)17-6-8-18-9-7-17/h3-5,11H,2,6-10,16H2,1H3
InChIKeyWKPRMFMOPAAZDY-UHFFFAOYSA-N
XLogP2.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine (CID 55234857) is 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine is CCC(N)Cc1c(Cl)cccc1N1CCOCC1.
What is the InChIKey of 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine?
The InChIKey is WKPRMFMOPAAZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-11(16)10-12-13(15)4-3-5-14(12)17-6-8-18-9-7-17/h3-5,11H,2,6-10,16H2,1H3.
What are the key properties of 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine?
1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine has a molecular weight of 268.79 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine is sourced from PubChem (CID 55234857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).