1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine

C14H21NO2 — CID 106929334

IUPAC1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine
SMILESCc1ccc(C(C)N)c(OCOCC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-10-3-6-13(11(2)15)14(7-10)17-9-16-8-12-4-5-12/h3,6-7,11-12H,4-5,8-9,15H2,1-2H3
InChIKeyHRTLECGPYZXCLT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.78
Rot. Bonds6

About 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine

1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine (PubChem CID 106929334) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine
PubChem CID106929334
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine
SMILESCc1ccc(C(C)N)c(OCOCC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-10-3-6-13(11(2)15)14(7-10)17-9-16-8-12-4-5-12/h3,6-7,11-12H,4-5,8-9,15H2,1-2H3
InChIKeyHRTLECGPYZXCLT-UHFFFAOYSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanol
CID 106929817
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
2-(cyclopropylmethoxymethoxy)-4-methylaniline
CID 106928951
1-[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-N-methylethanamine
CID 106929188
1-[3-chloro-4-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929435
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
2-(chloromethyl)-1-(cyclopropylmethoxymethoxy)-4-methylbenzene
CID 106929904
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
CID 106929847
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
[2-(cyclopropylmethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 106929979

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine?
The IUPAC name of 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine (CID 106929334) is 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine is Cc1ccc(C(C)N)c(OCOCC2CC2)c1.
What is the InChIKey of 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine?
The InChIKey is HRTLECGPYZXCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-3-6-13(11(2)15)14(7-10)17-9-16-8-12-4-5-12/h3,6-7,11-12H,4-5,8-9,15H2,1-2H3.
What are the key properties of 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine?
1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxymethoxy)-4-methylphenyl]ethanamine is sourced from PubChem (CID 106929334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).