N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine

C17H26N2O — CID 62432060

IUPACN-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1(C)CN(Cc2cccc(CNC3CC3)c2)CCO1
InChIInChI=1S/C17H26N2O/c1-17(2)13-19(8-9-20-17)12-15-5-3-4-14(10-15)11-18-16-6-7-16/h3-5,10,16,18H,6-9,11-13H2,1-2H3
InChIKeyFOANZMBRGPEEHM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.55
Rot. Bonds5

About N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62432060) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62432060
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCC1(C)CN(Cc2cccc(CNC3CC3)c2)CCO1
InChIInChI=1S/C17H26N2O/c1-17(2)13-19(8-9-20-17)12-15-5-3-4-14(10-15)11-18-16-6-7-16/h3-5,10,16,18H,6-9,11-13H2,1-2H3
InChIKeyFOANZMBRGPEEHM-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62412416
N-[2-[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 115463777
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methylaniline
CID 43592942
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
N-[[1-[2-(2,2-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62433300
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539708
N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-1-propylpiperidin-4-amine
CID 97230593
2-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976790
4-[(2,2-dimethylmorpholin-4-yl)methyl]-2-iodoaniline
CID 112750999
2-bromo-5-[(2,2-dimethylmorpholin-4-yl)methyl]aniline
CID 115557043
N-[[5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 102746010
1-[3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62432960

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine (CID 62432060) is N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine is CC1(C)CN(Cc2cccc(CNC3CC3)c2)CCO1.
What is the InChIKey of N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is FOANZMBRGPEEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)13-19(8-9-20-17)12-15-5-3-4-14(10-15)11-18-16-6-7-16/h3-5,10,16,18H,6-9,11-13H2,1-2H3.
What are the key properties of N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62432060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).