N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine

C15H23NO — CID 102940561

IUPACN-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(COCc2ccccc2)CC1
InChIInChI=1S/C15H23NO/c1-2-10-16-12-15(8-9-15)13-17-11-14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3
InChIKeySHQHIJVYDMZEKI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds8

About N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine

N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 102940561) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID102940561
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(COCc2ccccc2)CC1
InChIInChI=1S/C15H23NO/c1-2-10-16-12-15(8-9-15)13-17-11-14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3
InChIKeySHQHIJVYDMZEKI-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
CID 130536844
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 102940530
2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine
CID 102940491
2-methoxy-N-[[3-(phenylmethoxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 102940611
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
CID 130174466
N-[[1-(ethoxymethyl)cyclopentyl]methyl]propan-1-amine
CID 103984505
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133

Frequently Asked Questions

What is the IUPAC name of N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine (CID 102940561) is N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine is CCCNCC1(COCc2ccccc2)CC1.
What is the InChIKey of N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is SHQHIJVYDMZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-10-16-12-15(8-9-15)13-17-11-14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3.
What are the key properties of N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine?
N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 102940561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).