N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine

C14H21ClN2O — CID 55130920

IUPACN-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine
SMILESCC(N)c1ccc(N(C)C2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(16)11-3-4-14(13(15)9-11)17(2)12-5-7-18-8-6-12/h3-4,9-10,12H,5-8,16H2,1-2H3
InChIKeyFHLXOFYJAKGYEA-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.97
Rot. Bonds3

About N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine

N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine (PubChem CID 55130920) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine
PubChem CID55130920
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine
SMILESCC(N)c1ccc(N(C)C2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(16)11-3-4-14(13(15)9-11)17(2)12-5-7-18-8-6-12/h3-4,9-10,12H,5-8,16H2,1-2H3
InChIKeyFHLXOFYJAKGYEA-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine?
The IUPAC name of N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine (CID 55130920) is N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine is CC(N)c1ccc(N(C)C2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine?
The InChIKey is FHLXOFYJAKGYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(16)11-3-4-14(13(15)9-11)17(2)12-5-7-18-8-6-12/h3-4,9-10,12H,5-8,16H2,1-2H3.
What are the key properties of N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine?
N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine is sourced from PubChem (CID 55130920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).