N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine

C19H24N2O — CID 112801651

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine
SMILESCc1ccc(C)c(OCCN(Cc2cccnc2)C2CC2)c1
InChIInChI=1S/C19H24N2O/c1-15-5-6-16(2)19(12-15)22-11-10-21(18-7-8-18)14-17-4-3-9-20-13-17/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3
InChIKeyYDLFFACPWXUGDH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.74
Rot. Bonds7

About N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine

N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine (PubChem CID 112801651) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine
PubChem CID112801651
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine
SMILESCc1ccc(C)c(OCCN(Cc2cccnc2)C2CC2)c1
InChIInChI=1S/C19H24N2O/c1-15-5-6-16(2)19(12-15)22-11-10-21(18-7-8-18)14-17-4-3-9-20-13-17/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3
InChIKeyYDLFFACPWXUGDH-UHFFFAOYSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine
CID 60807508
4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121578
3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 91841422
4-cyano-N-cyclopropyl-N-[3-(2,5-dimethylphenoxy)propyl]benzenesulfonamide
CID 60522568
2-[cyclopropyl-[2-(2,5-dimethylphenoxy)ethyl]amino]propanoic acid
CID 122083076
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine (CID 112801651) is N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine is Cc1ccc(C)c(OCCN(Cc2cccnc2)C2CC2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine?
The InChIKey is YDLFFACPWXUGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-5-6-16(2)19(12-15)22-11-10-21(18-7-8-18)14-17-4-3-9-20-13-17/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3.
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine?
N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine has a molecular weight of 296.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]-N-(pyridin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 112801651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).