N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine

C15H24N2O — CID 43270084

IUPACN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
SMILESCCCN(CCOc1cccc(CN)c1)C1CC1
InChIInChI=1S/C15H24N2O/c1-2-8-17(14-6-7-14)9-10-18-15-5-3-4-13(11-15)12-16/h3-5,11,14H,2,6-10,12,16H2,1H3
InChIKeyXXXWDKFONZMATI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.40
Rot. Bonds8

About N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine

N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine (PubChem CID 43270084) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
PubChem CID43270084
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
SMILESCCCN(CCOc1cccc(CN)c1)C1CC1
InChIInChI=1S/C15H24N2O/c1-2-8-17(14-6-7-14)9-10-18-15-5-3-4-13(11-15)12-16/h3-5,11,14H,2,6-10,12,16H2,1H3
InChIKeyXXXWDKFONZMATI-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
CID 43270088
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine?
The IUPAC name of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine (CID 43270084) is N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine is CCCN(CCOc1cccc(CN)c1)C1CC1.
What is the InChIKey of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine?
The InChIKey is XXXWDKFONZMATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-8-17(14-6-7-14)9-10-18-15-5-3-4-13(11-15)12-16/h3-5,11,14H,2,6-10,12,16H2,1H3.
What are the key properties of N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine?
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine is sourced from PubChem (CID 43270084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).