2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine

C14H22ClNO3 — CID 103176974

IUPAC2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine
SMILESCOCCCOCCOC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO3/c1-17-7-2-8-18-9-10-19-14(11-16)12-3-5-13(15)6-4-12/h3-6,14H,2,7-11,16H2,1H3
InChIKeyRFTOLCQHHBYBHU-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.41
Rot. Bonds10

About 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine

2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine (PubChem CID 103176974) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine
PubChem CID103176974
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine
SMILESCOCCCOCCOC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO3/c1-17-7-2-8-18-9-10-19-14(11-16)12-3-5-13(15)6-4-12/h3-6,14H,2,7-11,16H2,1H3
InChIKeyRFTOLCQHHBYBHU-UHFFFAOYSA-N
XLogP2.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.41
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

2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine
CID 103401308
1-(4-chlorophenyl)-1-[3-(2-methoxyethoxy)propoxy]butan-2-amine
CID 103401321
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
CID 103401296
2-[2-(3-methoxypropoxy)ethoxy]propan-1-amine
CID 103175854
1-(4-chlorophenyl)-4-methoxybutan-1-amine
CID 62607559
1-[2-bromo-1-[2-(3-methoxypropoxy)ethoxy]ethyl]-2-chlorobenzene
CID 103180209
N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
CID 103180425
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
2-(3-chlorophenyl)-4-(3-methoxypropoxy)butan-1-amine
CID 103183699
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propan-2-ylbutan-1-amine
CID 103183680
N-[2-(4-chlorophenyl)-2-(2-propoxyethoxy)ethyl]cyclopropanamine
CID 63686545

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine (CID 103176974) is 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine is COCCCOCCOC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine?
The InChIKey is RFTOLCQHHBYBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-17-7-2-8-18-9-10-19-14(11-16)12-3-5-13(15)6-4-12/h3-6,14H,2,7-11,16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine?
2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine has a molecular weight of 287.79 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine is sourced from PubChem (CID 103176974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).