N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

C19H27NO — CID 102940477

IUPACN-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESc1ccc(COCC2(CNC3CC3)CC3CCC2C3)cc1
InChIInChI=1S/C19H27NO/c1-2-4-15(5-3-1)12-21-14-19(13-20-18-8-9-18)11-16-6-7-17(19)10-16/h1-5,16-18,20H,6-14H2
InChIKeyPXWZSIQNJDKFOH-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.76
Rot. Bonds7

About N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 102940477) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID102940477
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESc1ccc(COCC2(CNC3CC3)CC3CCC2C3)cc1
InChIInChI=1S/C19H27NO/c1-2-4-15(5-3-1)12-21-14-19(13-20-18-8-9-18)11-16-6-7-17(19)10-16/h1-5,16-18,20H,6-14H2
InChIKeyPXWZSIQNJDKFOH-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 102940533
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63521467
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522529
N-[(2-benzyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63521463
N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 79697122
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
1-[[4-[(cyclopropylamino)methyl]-4-(phenylmethoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 139515845
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
[1-(phenylmethoxymethyl)-3-tricyclo[3.3.1.03,7]nonanyl] N-tert-butylcarbamate
CID 123779128
N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
CID 102940521
N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 82934165

Frequently Asked Questions

What is the IUPAC name of N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 102940477) is N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is c1ccc(COCC2(CNC3CC3)CC3CCC2C3)cc1.
What is the InChIKey of N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is PXWZSIQNJDKFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-4-15(5-3-1)12-21-14-19(13-20-18-8-9-18)11-16-6-7-17(19)10-16/h1-5,16-18,20H,6-14H2.
What are the key properties of N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 102940477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).