N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine

C19H23NO — CID 62443430

IUPACN-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCC(OCc1cccc(CNC2CC2)c1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-15(18-8-3-2-4-9-18)21-14-17-7-5-6-16(12-17)13-20-19-10-11-19/h2-9,12,15,19-20H,10-11,13-14H2,1H3
InChIKeySRKNMOFABSPCFR-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.22
Rot. Bonds7

About N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine

N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine (PubChem CID 62443430) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine
PubChem CID62443430
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine
SMILESCC(OCc1cccc(CNC2CC2)c1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-15(18-8-3-2-4-9-18)21-14-17-7-5-6-16(12-17)13-20-19-10-11-19/h2-9,12,15,19-20H,10-11,13-14H2,1H3
InChIKeySRKNMOFABSPCFR-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[3-(pentan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 102987001
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
2-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-1-phenylethanol
CID 66347327
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine (CID 62443430) is N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine is CC(OCc1cccc(CNC2CC2)c1)c1ccccc1.
What is the InChIKey of N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is SRKNMOFABSPCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(18-8-3-2-4-9-18)21-14-17-7-5-6-16(12-17)13-20-19-10-11-19/h2-9,12,15,19-20H,10-11,13-14H2,1H3.
What are the key properties of N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine?
N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62443430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).