N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine

C14H22N2O — CID 114016709

IUPACN-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
SMILESCc1ccc(OCCN(C)C2CC2)c(CN)c1
InChIInChI=1S/C14H22N2O/c1-11-3-6-14(12(9-11)10-15)17-8-7-16(2)13-4-5-13/h3,6,9,13H,4-5,7-8,10,15H2,1-2H3
InChIKeyNPKNHFOPNMEGPI-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.93
Rot. Bonds6

About N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine

N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 114016709) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
PubChem CID114016709
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine
SMILESCc1ccc(OCCN(C)C2CC2)c(CN)c1
InChIInChI=1S/C14H22N2O/c1-11-3-6-14(12(9-11)10-15)17-8-7-16(2)13-4-5-13/h3,6,9,13H,4-5,7-8,10,15H2,1-2H3
InChIKeyNPKNHFOPNMEGPI-UHFFFAOYSA-N
XLogP1.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(aminomethyl)-4-fluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739688
4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121578
(2-but-3-ynoxy-5-methylphenyl)methanamine
CID 63322863
[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 63322374
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
CID 102739824
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102740004
N-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethyl]-N-methylcyclopropanamine
CID 102739697
4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
2-[2-[cyclopropyl(methyl)amino]ethoxy]-6-propoxyaniline
CID 102739820
5-bromo-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzenecarbothioamide
CID 102740127

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine (CID 114016709) is N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine is Cc1ccc(OCCN(C)C2CC2)c(CN)c1.
What is the InChIKey of N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is NPKNHFOPNMEGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-6-14(12(9-11)10-15)17-8-7-16(2)13-4-5-13/h3,6,9,13H,4-5,7-8,10,15H2,1-2H3.
What are the key properties of N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 234.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)-4-methylphenoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 114016709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).