N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine

C17H27ClN2O — CID 104959435

IUPACN-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cl)cccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H27ClN2O/c1-12(2)8-19-9-15-16(18)6-5-7-17(15)20-10-13(3)21-14(4)11-20/h5-7,12-14,19H,8-11H2,1-4H3/t13-,14+
InChIKeyDNJGXFZIRWYTFG-OKILXGFUSA-N
MW310.87 g/mol
LogP3.70
Rot. Bonds5

About N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine

N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 104959435) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID104959435
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cl)cccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H27ClN2O/c1-12(2)8-19-9-15-16(18)6-5-7-17(15)20-10-13(3)21-14(4)11-20/h5-7,12-14,19H,8-11H2,1-4H3/t13-,14+
InChIKeyDNJGXFZIRWYTFG-OKILXGFUSA-N
XLogP3.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[2-(azepan-1-yl)-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63566563
N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058724
N-[[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 81147425
N-[[2-chloro-6-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 103535818
N-[[2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63070135
N-[[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 79188653
1-[3-chloro-2-[(2-methylpropylamino)methyl]phenyl]-1,4-diazepan-5-one
CID 63070934
N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074615
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104960884
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43281049
N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284909
1-[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62973443

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine (CID 104959435) is N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1c(Cl)cccc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DNJGXFZIRWYTFG-OKILXGFUSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-12(2)8-19-9-15-16(18)6-5-7-17(15)20-10-13(3)21-14(4)11-20/h5-7,12-14,19H,8-11H2,1-4H3/t13-,14+.
What are the key properties of N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104959435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).