N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine

C17H27NO3 — CID 43472532

IUPACN-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
SMILESCCCOc1ccc(CNC2CC2)c(OCCOCC)c1
InChIInChI=1S/C17H27NO3/c1-3-9-20-16-8-5-14(13-18-15-6-7-15)17(12-16)21-11-10-19-4-2/h5,8,12,15,18H,3-4,6-7,9-11,13H2,1-2H3
InChIKeyINDGTCBBZZPGEE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.14
Rot. Bonds11

About N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine

N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine (PubChem CID 43472532) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
PubChem CID43472532
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
SMILESCCCOc1ccc(CNC2CC2)c(OCCOCC)c1
InChIInChI=1S/C17H27NO3/c1-3-9-20-16-8-5-14(13-18-15-6-7-15)17(12-16)21-11-10-19-4-2/h5,8,12,15,18H,3-4,6-7,9-11,13H2,1-2H3
InChIKeyINDGTCBBZZPGEE-UHFFFAOYSA-N
XLogP3.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]cyclopropanamine
CID 62387770
N-[[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methyl]cyclopropanamine
CID 61484961
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
1-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]-4-propoxybenzene
CID 106453976
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-[[6-methyl-4-(2-propoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250179
N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54804024
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
N-[[5-bromo-2-(2-butoxyethoxy)phenyl]methyl]cyclopropanamine
CID 61482948

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine (CID 43472532) is N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine is CCCOc1ccc(CNC2CC2)c(OCCOCC)c1.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine?
The InChIKey is INDGTCBBZZPGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-9-20-16-8-5-14(13-18-15-6-7-15)17(12-16)21-11-10-19-4-2/h5,8,12,15,18H,3-4,6-7,9-11,13H2,1-2H3.
What are the key properties of N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine?
N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine has a molecular weight of 293.41 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43472532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).