3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine

C16H25NO2 — CID 43206746

IUPAC3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1ccc(C(C)NCCCOCC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(15-6-8-16(18-2)9-7-15)17-10-3-11-19-12-14-4-5-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3
InChIKeyRETUJDYUBKHRJJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds9

About 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 43206746) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
PubChem CID43206746
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
SMILESCOc1ccc(C(C)NCCCOCC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(15-6-8-16(18-2)9-7-15)17-10-3-11-19-12-14-4-5-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3
InChIKeyRETUJDYUBKHRJJ-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
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

3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 60972295
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine (CID 43206746) is 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine is COc1ccc(C(C)NCCCOCC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is RETUJDYUBKHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(15-6-8-16(18-2)9-7-15)17-10-3-11-19-12-14-4-5-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43206746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).