N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine

C18H22N2O — CID 43276842

IUPACN-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C18H22N2O/c1-13-8-16(11-20-17-5-6-17)9-14(2)18(13)21-12-15-4-3-7-19-10-15/h3-4,7-10,17,20H,5-6,11-12H2,1-2H3
InChIKeyBESUMBXTFGVKIO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds6

About N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43276842) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID43276842
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C18H22N2O/c1-13-8-16(11-20-17-5-6-17)9-14(2)18(13)21-12-15-4-3-7-19-10-15/h3-4,7-10,17,20H,5-6,11-12H2,1-2H3
InChIKeyBESUMBXTFGVKIO-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 6471617
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclohexanamine
CID 17055912
3,5-dimethyl-4-(pyridin-3-ylmethoxy)aniline
CID 63690803
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 16770145
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736915

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 43276842) is N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is BESUMBXTFGVKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-8-16(11-20-17-5-6-17)9-14(2)18(13)21-12-15-4-3-7-19-10-15/h3-4,7-10,17,20H,5-6,11-12H2,1-2H3.
What are the key properties of N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 282.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43276842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).