N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C18H28N2O — CID 79705274

IUPACN-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCc1ccccc1OCCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C18H28N2O/c1-15-4-2-3-5-18(15)21-13-12-20(17-6-7-17)14-16-8-10-19-11-9-16/h2-5,16-17,19H,6-14H2,1H3
InChIKeyMTIJITQHDHAWAH-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 79705274) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID79705274
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESCc1ccccc1OCCN(CC1CCNCC1)C1CC1
InChIInChI=1S/C18H28N2O/c1-15-4-2-3-5-18(15)21-13-12-20(17-6-7-17)14-16-8-10-19-11-9-16/h2-5,16-17,19H,6-14H2,1H3
InChIKeyMTIJITQHDHAWAH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489
N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933164
N-methyl-2-(2-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929851
N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine
CID 60807508
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 103181621
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one
CID 82908092
1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
CID 94177929
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79114793
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 79705274) is N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is Cc1ccccc1OCCN(CC1CCNCC1)C1CC1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is MTIJITQHDHAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-4-2-3-5-18(15)21-13-12-20(17-6-7-17)14-16-8-10-19-11-9-16/h2-5,16-17,19H,6-14H2,1H3.
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 288.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79705274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).