N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine

C16H24ClNO2 — CID 62106804

IUPACN-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO2/c1-2-9-18-12-16(14-5-3-4-6-15(14)17)20-13-7-10-19-11-8-13/h3-6,13,16,18H,2,7-12H2,1H3
InChIKeyDPQYBTLEQSMSJS-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine

N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine (PubChem CID 62106804) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
PubChem CID62106804
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO2/c1-2-9-18-12-16(14-5-3-4-6-15(14)17)20-13-7-10-19-11-8-13/h3-6,13,16,18H,2,7-12H2,1H3
InChIKeyDPQYBTLEQSMSJS-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.58
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

N-[2-(2-chlorophenyl)-2-cyclobutyloxyethyl]propan-1-amine
CID 62381645
2-(2-chlorophenyl)-2-cyclohexyloxy-N-ethylethanamine
CID 62108606
2-(2-chlorophenyl)-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 114342165
N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62107691
N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
CID 102607807
N-[2-cyclobutyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62381823
N-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62106999
N-[2-(2-chlorophenyl)-2-(4-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63476222
N-[2-(2-butoxyethoxy)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 62110711
2-(2-chlorophenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
CID 63475023
N-[2-(2-bromophenyl)-2-(oxan-4-yloxy)ethyl]propan-2-amine
CID 62108052
N-[2-(2-chlorophenyl)-2-(4-methylpentoxy)ethyl]propan-1-amine
CID 63475898

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine (CID 62106804) is N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine is CCCNCC(OC1CCOCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine?
The InChIKey is DPQYBTLEQSMSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-2-9-18-12-16(14-5-3-4-6-15(14)17)20-13-7-10-19-11-8-13/h3-6,13,16,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine?
N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 62106804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).