2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine

C15H24N2O — CID 65481122

IUPAC2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
SMILESCOc1ccc(CN(C)CC2(CCN)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-17(12-15(7-8-15)9-10-16)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3
InChIKeyKCXARNVDGOYWGX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds7

About 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine

2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine (PubChem CID 65481122) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
PubChem CID65481122
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
SMILESCOc1ccc(CN(C)CC2(CCN)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-17(12-15(7-8-15)9-10-16)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3
InChIKeyKCXARNVDGOYWGX-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65496384
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 115295391
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 115244233
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine (CID 65481122) is 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine is COc1ccc(CN(C)CC2(CCN)CC2)cc1.
What is the InChIKey of 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine?
The InChIKey is KCXARNVDGOYWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(12-15(7-8-15)9-10-16)11-13-3-5-14(18-2)6-4-13/h3-6H,7-12,16H2,1-2H3.
What are the key properties of 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine?
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65481122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).