N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine

C18H28N2O — CID 63706317

IUPACN-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1cccc(CNC2CC2)c1)CC1CCOCC1
InChIInChI=1S/C18H28N2O/c1-20(13-15-7-9-21-10-8-15)14-17-4-2-3-16(11-17)12-19-18-5-6-18/h2-4,11,15,18-19H,5-10,12-14H2,1H3
InChIKeyHBGXARBAJLVRGS-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.80
Rot. Bonds7

About N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 63706317) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID63706317
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1cccc(CNC2CC2)c1)CC1CCOCC1
InChIInChI=1S/C18H28N2O/c1-20(13-15-7-9-21-10-8-15)14-17-4-2-3-16(11-17)12-19-18-5-6-18/h2-4,11,15,18-19H,5-10,12-14H2,1H3
InChIKeyHBGXARBAJLVRGS-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62413208
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
N-methyl-2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347759
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63657931
N-[[5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411812
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77083300
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102770756

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 63706317) is N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine is CN(Cc1cccc(CNC2CC2)c1)CC1CCOCC1.
What is the InChIKey of N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is HBGXARBAJLVRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(13-15-7-9-21-10-8-15)14-17-4-2-3-16(11-17)12-19-18-5-6-18/h2-4,11,15,18-19H,5-10,12-14H2,1H3.
What are the key properties of N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 288.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63706317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).