2-(2-chlorophenyl)-2-hexoxyethanamine

C14H22ClNO — CID 55022815

IUPAC2-(2-chlorophenyl)-2-hexoxyethanamine
SMILESCCCCCCOC(CN)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-2-3-4-7-10-17-14(11-16)12-8-5-6-9-13(12)15/h5-6,8-9,14H,2-4,7,10-11,16H2,1H3
InChIKeyILFIRRQFGIOBBI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.94
Rot. Bonds8

About 2-(2-chlorophenyl)-2-hexoxyethanamine

2-(2-chlorophenyl)-2-hexoxyethanamine (PubChem CID 55022815) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-hexoxyethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-hexoxyethanamine
PubChem CID55022815
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-(2-chlorophenyl)-2-hexoxyethanamine
SMILESCCCCCCOC(CN)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-2-3-4-7-10-17-14(11-16)12-8-5-6-9-13(12)15/h5-6,8-9,14H,2-4,7,10-11,16H2,1H3
InChIKeyILFIRRQFGIOBBI-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromophenyl)-2-heptoxyethanamine
CID 63459548
2-(2-chlorophenyl)nonan-1-amine
CID 79448666
1-chloro-2-(2-iodo-1-propoxyethyl)benzene
CID 114772032
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methoxy]ethanamine
CID 55022331
2-(4-bromophenyl)-2-heptoxyethanamine
CID 63459731
2-hexoxy-2-(3-methylphenyl)ethanamine
CID 55020472
2-(2-chlorophenyl)-2-(4-ethylphenoxy)ethanamine
CID 55022375
2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275640
2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine
CID 63459216
1-dodecoxyhexylbenzene
CID 174774790
N-[2-(2-chlorophenyl)-2-(4-methylpentoxy)ethyl]propan-1-amine
CID 63475898
N-[2-(2-butoxyethoxy)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 62110711

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-hexoxyethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-hexoxyethanamine (CID 55022815) is 2-(2-chlorophenyl)-2-hexoxyethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-hexoxyethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-hexoxyethanamine is CCCCCCOC(CN)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-hexoxyethanamine?
The InChIKey is ILFIRRQFGIOBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-2-3-4-7-10-17-14(11-16)12-8-5-6-9-13(12)15/h5-6,8-9,14H,2-4,7,10-11,16H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-hexoxyethanamine?
2-(2-chlorophenyl)-2-hexoxyethanamine has a molecular weight of 255.79 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-hexoxyethanamine is sourced from PubChem (CID 55022815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).