N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine

C17H20N2O2 — CID 43275383

IUPACN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1OCc1ccncc1
InChIInChI=1S/C17H20N2O2/c1-20-17-10-14(11-19-15-3-4-15)2-5-16(17)21-12-13-6-8-18-9-7-13/h2,5-10,15,19H,3-4,11-12H2,1H3
InChIKeyKAFZWKQNEKXHLZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds7

About N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43275383) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID43275383
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1cc(CNC2CC2)ccc1OCc1ccncc1
InChIInChI=1S/C17H20N2O2/c1-20-17-10-14(11-19-15-3-4-15)2-5-16(17)21-12-13-6-8-18-9-7-13/h2,5-10,15,19H,3-4,11-12H2,1H3
InChIKeyKAFZWKQNEKXHLZ-UHFFFAOYSA-N
XLogP2.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methoxy-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60882439
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 43275383) is N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine is COc1cc(CNC2CC2)ccc1OCc1ccncc1.
What is the InChIKey of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is KAFZWKQNEKXHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-17-10-14(11-19-15-3-4-15)2-5-16(17)21-12-13-6-8-18-9-7-13/h2,5-10,15,19H,3-4,11-12H2,1H3.
What are the key properties of N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 284.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43275383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).