N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine

C14H23NO3 — CID 62937995

IUPACN-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
SMILESCOCCOCCNCCCOc1ccccc1
InChIInChI=1S/C14H23NO3/c1-16-12-13-17-11-9-15-8-5-10-18-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyAKZMEXRBQILTIJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.71
Rot. Bonds11

About N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine

N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine (PubChem CID 62937995) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
PubChem CID62937995
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
SMILESCOCCOCCNCCCOc1ccccc1
InChIInChI=1S/C14H23NO3/c1-16-12-13-17-11-9-15-8-5-10-18-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyAKZMEXRBQILTIJ-UHFFFAOYSA-N
XLogP1.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.71
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

3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
N-[2-(2-chloroethoxy)ethyl]-3-phenoxypropan-1-amine
CID 65023904
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
3-(2-methoxyethoxy)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 103605684
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
3-(2-phenoxyethoxy)-N-propylpropan-1-amine
CID 55133853
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine (CID 62937995) is N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine is COCCOCCNCCCOc1ccccc1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine?
The InChIKey is AKZMEXRBQILTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-16-12-13-17-11-9-15-8-5-10-18-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 1.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 62937995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).