[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol

C14H21NO2 — CID 130536844

IUPAC[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
SMILESOCC1(CNCCOCc2ccccc2)CC1
InChIInChI=1S/C14H21NO2/c16-12-14(6-7-14)11-15-8-9-17-10-13-4-2-1-3-5-13/h1-5,15-16H,6-12H2
InChIKeyKCSYIFQSMHPMBR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds8

About [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol

[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol (PubChem CID 130536844) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
PubChem CID130536844
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol
SMILESOCC1(CNCCOCc2ccccc2)CC1
InChIInChI=1S/C14H21NO2/c16-12-14(6-7-14)11-15-8-9-17-10-13-4-2-1-3-5-13/h1-5,15-16H,6-12H2
InChIKeyKCSYIFQSMHPMBR-UHFFFAOYSA-N
XLogP1.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-2-phenylmethoxyethanamine
CID 130174466
N-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 102940561
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol
CID 67960829
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
CID 113313278
2-methoxy-N-[[3-(phenylmethoxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 102940611

Frequently Asked Questions

What is the IUPAC name of [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol (CID 130536844) is [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol is OCC1(CNCCOCc2ccccc2)CC1.
What is the InChIKey of [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol?
The InChIKey is KCSYIFQSMHPMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-12-14(6-7-14)11-15-8-9-17-10-13-4-2-1-3-5-13/h1-5,15-16H,6-12H2.
What are the key properties of [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol?
[1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-phenylmethoxyethylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 130536844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).