N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine

C20H25NO2 — CID 54804997

IUPACN-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
SMILESCC(NCC1CC1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(21-15-17-11-12-17)19-9-5-6-10-20(19)23-14-13-22-18-7-3-2-4-8-18/h2-10,16-17,21H,11-15H2,1H3
InChIKeyYZTIXBFCOXTPIR-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.20
Rot. Bonds9

About N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine

N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine (PubChem CID 54804997) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
PubChem CID54804997
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
SMILESCC(NCC1CC1)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C20H25NO2/c1-16(21-15-17-11-12-17)19-9-5-6-10-20(19)23-14-13-22-18-7-3-2-4-8-18/h2-10,16-17,21H,11-15H2,1H3
InChIKeyYZTIXBFCOXTPIR-UHFFFAOYSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-1-[2-(2-phenylethoxy)phenyl]ethanamine
CID 54804998
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
N-(cyclohexylmethyl)-1-(2-heptoxyphenyl)ethanamine
CID 54804382
N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54803862
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106929162
1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54805017
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
1-(2-butan-2-yloxyphenyl)-N-(cyclohexylmethyl)ethanamine
CID 54804387
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine (CID 54804997) is N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine is CC(NCC1CC1)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine?
The InChIKey is YZTIXBFCOXTPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16(21-15-17-11-12-17)19-9-5-6-10-20(19)23-14-13-22-18-7-3-2-4-8-18/h2-10,16-17,21H,11-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine?
N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine has a molecular weight of 311.43 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 54804997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).