N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine

C16H24N2O — CID 43544881

IUPACN-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CN(c2ccc(CNC3CC3)cc2)C(C)CO1
InChIInChI=1S/C16H24N2O/c1-12-11-19-13(2)10-18(12)16-7-3-14(4-8-16)9-17-15-5-6-15/h3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3
InChIKeyXVRVVTDVBBPQLT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds4

About N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine

N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 43544881) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID43544881
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CN(c2ccc(CNC3CC3)cc2)C(C)CO1
InChIInChI=1S/C16H24N2O/c1-12-11-19-13(2)10-18(12)16-7-3-14(4-8-16)9-17-15-5-6-15/h3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3
InChIKeyXVRVVTDVBBPQLT-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 61423904
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N-[[4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]cyclopropanamine
CID 79929011
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185517
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
CID 114679392
N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 54885642
N-[[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 114540058
N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110637763
2-chloro-4-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62948700
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine
CID 65319734

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine (CID 43544881) is N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine is CC1CN(c2ccc(CNC3CC3)cc2)C(C)CO1.
What is the InChIKey of N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is XVRVVTDVBBPQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-11-19-13(2)10-18(12)16-7-3-14(4-8-16)9-17-15-5-6-15/h3-4,7-8,12-13,15,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43544881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).