N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine

C14H21ClN2O2 — CID 57130558

IUPACN-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine
SMILESCOCCCC=C(NOCCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3
InChIKeyCZUQKXBPPBLWBI-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.59
Rot. Bonds9

About N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine

N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine (PubChem CID 57130558) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine
PubChem CID57130558
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine
SMILESCOCCCC=C(NOCCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3
InChIKeyCZUQKXBPPBLWBI-UHFFFAOYSA-N
XLogP2.59
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
(Z)-N-(2-aminoethoxy)-1-(4-fluorophenyl)-5-methoxypent-1-en-1-amine
CID 123228856
2-[(4-chlorophenyl)methylamino]oxy-N,N-diethylethanamine
CID 3046188
1-(4-chloro-3-fluorophenyl)-N-ethoxymethanamine
CID 82710193
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CID 82710891
1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711336
1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)butan-1-amine
CID 82711896
1-(4-chloro-3-fluorophenyl)-N-(2-methylpropoxy)methanamine
CID 82712598
1-(4-chloro-3-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82715114
1-(4-chloro-3-fluorophenyl)-N-ethoxyethanamine
CID 83069552
1-(4-chloro-3-fluorophenyl)-N-(2-methylpropoxy)ethanamine
CID 83069632

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine?
The IUPAC name of N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine (CID 57130558) is N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine?
The canonical SMILES for N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine is COCCCC=C(NOCCN)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine?
The InChIKey is CZUQKXBPPBLWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h4-8,17H,2-3,9-11,16H2,1H3.
What are the key properties of N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine?
N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine has a molecular weight of 284.79 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)-1-(4-chlorophenyl)-5-methoxypent-1-en-1-amine is sourced from PubChem (CID 57130558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).