N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine

C15H22N2 — CID 106913534

IUPACN-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCC1CN(c2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C15H22N2/c1-2-12-10-17(11-12)15-5-3-4-13(8-15)9-16-14-6-7-14/h3-5,8,12,14,16H,2,6-7,9-11H2,1H3
InChIKeyKGQJPJSIIPTTOT-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.78
Rot. Bonds5

About N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 106913534) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID106913534
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCC1CN(c2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C15H22N2/c1-2-12-10-17(11-12)15-5-3-4-13(8-15)9-16-14-6-7-14/h3-5,8,12,14,16H,2,6-7,9-11H2,1H3
InChIKeyKGQJPJSIIPTTOT-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913509
N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
CID 173207768
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
N-[[3-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 63943468
N-cyclopropyl-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83991724
N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993793
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine
CID 79677718
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine (CID 106913534) is N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine is CCC1CN(c2cccc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is KGQJPJSIIPTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-12-10-17(11-12)15-5-3-4-13(8-15)9-16-14-6-7-14/h3-5,8,12,14,16H,2,6-7,9-11H2,1H3.
What are the key properties of N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 230.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106913534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).