N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine

C16H25ClN2O — CID 114847339

IUPACN-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2ccc(Cl)cc2CNC(C)(C)C)CCO1
InChIInChI=1S/C16H25ClN2O/c1-12-11-19(7-8-20-12)15-6-5-14(17)9-13(15)10-18-16(2,3)4/h5-6,9,12,18H,7-8,10-11H2,1-4H3
InChIKeyMARQARBYWBTGPO-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.45
Rot. Bonds3

About N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 114847339) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID114847339
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2ccc(Cl)cc2CNC(C)(C)C)CCO1
InChIInChI=1S/C16H25ClN2O/c1-12-11-19(7-8-20-12)15-6-5-14(17)9-13(15)10-18-16(2,3)4/h5-6,9,12,18H,7-8,10-11H2,1-4H3
InChIKeyMARQARBYWBTGPO-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 114847339) is N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine is CC1CN(c2ccc(Cl)cc2CNC(C)(C)C)CCO1.
What is the InChIKey of N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MARQARBYWBTGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12-11-19(7-8-20-12)15-6-5-14(17)9-13(15)10-18-16(2,3)4/h5-6,9,12,18H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.84 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114847339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).