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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Related Compounds

1-[2-chloro-6-(1,4-oxazepan-4-yl)phenyl]butan-2-amine
CID 55236034
1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63786250
1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 79183981
1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66370852
4-[3-chloro-2-(chloromethyl)phenyl]morpholine
CID 28946203
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
1-[2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 107395892
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885
1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 82699665
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
2-[[(2-chloro-6-morpholin-4-ylphenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128310

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).